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3tcx

Structure of Engineered Single Domain ICAM-1 D1 with High-Affinity aL Integrin I Domain of Native C-Terminal Helix Conformation

Method: X-RAY DIFFRACTION Dmax: 194.3 Å Quality: GOOD
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1. Protein Identity and Related Structures Protein Identity & Related Structures

Intercellular adhesion molecule 1

Homo sapiens

UniProt P05362

State in the Current Structure

Assembly Oligomeric State Construct Mutations and Modifications Ligands, Ions and Associated Components Method and Experimental Conditions Structure Quality
1 Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count Chain A； UniProt 29–112 Fragment：DOMAIN 1, unp residues 29-112 Mutation：T2V, I10T, T23A, P38V, P63V, S67A, T78A Integrin alpha-L × 1 （P20701） MG MAGNESIUM ION × 1 X-RAY DIFFRACTION X-ray crystallization conditions：EVAPORATION；pH 6；277 K；pH 6.0, EVAPORATION, temperature 277K Resolution 3.60 Å R-free 0.234
10 Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count Chain S； UniProt 29–112 Fragment：DOMAIN 1, unp residues 29-112 Mutation：T2V, I10T, T23A, P38V, P63V, S67A, T78A Integrin alpha-L × 1 （P20701） MG MAGNESIUM ION × 1 X-RAY DIFFRACTION X-ray crystallization conditions：EVAPORATION；pH 6；277 K；pH 6.0, EVAPORATION, temperature 277K Resolution 3.60 Å R-free 0.234
11 Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count Chain U； UniProt 29–112 Fragment：DOMAIN 1, unp residues 29-112 Mutation：T2V, I10T, T23A, P38V, P63V, S67A, T78A Integrin alpha-L × 1 （P20701） MG MAGNESIUM ION × 1 X-RAY DIFFRACTION X-ray crystallization conditions：EVAPORATION；pH 6；277 K；pH 6.0, EVAPORATION, temperature 277K Resolution 3.60 Å R-free 0.234
12 Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count Chain W； UniProt 29–112 Fragment：DOMAIN 1, unp residues 29-112 Mutation：T2V, I10T, T23A, P38V, P63V, S67A, T78A Integrin alpha-L × 1 （P20701） MG MAGNESIUM ION × 1 X-RAY DIFFRACTION X-ray crystallization conditions：EVAPORATION；pH 6；277 K；pH 6.0, EVAPORATION, temperature 277K Resolution 3.60 Å R-free 0.234
13 Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count Chain Y； UniProt 29–112 Fragment：DOMAIN 1, unp residues 29-112 Mutation：T2V, I10T, T23A, P38V, P63V, S67A, T78A Integrin alpha-L × 1 （P20701） MG MAGNESIUM ION × 1 X-RAY DIFFRACTION X-ray crystallization conditions：EVAPORATION；pH 6；277 K；pH 6.0, EVAPORATION, temperature 277K Resolution 3.60 Å R-free 0.234
14 Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count Chain a； UniProt 29–112 Fragment：DOMAIN 1, unp residues 29-112 Mutation：T2V, I10T, T23A, P38V, P63V, S67A, T78A Integrin alpha-L × 1 （P20701） MG MAGNESIUM ION × 1 X-RAY DIFFRACTION X-ray crystallization conditions：EVAPORATION；pH 6；277 K；pH 6.0, EVAPORATION, temperature 277K Resolution 3.60 Å R-free 0.234
2 Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count Chain C； UniProt 29–112 Fragment：DOMAIN 1, unp residues 29-112 Mutation：T2V, I10T, T23A, P38V, P63V, S67A, T78A Integrin alpha-L × 1 （P20701） MG MAGNESIUM ION × 1 X-RAY DIFFRACTION X-ray crystallization conditions：EVAPORATION；pH 6；277 K；pH 6.0, EVAPORATION, temperature 277K Resolution 3.60 Å R-free 0.234
3 Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count Chain E； UniProt 29–112 Fragment：DOMAIN 1, unp residues 29-112 Mutation：T2V, I10T, T23A, P38V, P63V, S67A, T78A Integrin alpha-L × 1 （P20701） MG MAGNESIUM ION × 1 X-RAY DIFFRACTION X-ray crystallization conditions：EVAPORATION；pH 6；277 K；pH 6.0, EVAPORATION, temperature 277K Resolution 3.60 Å R-free 0.234
4 Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count Chain G； UniProt 29–112 Fragment：DOMAIN 1, unp residues 29-112 Mutation：T2V, I10T, T23A, P38V, P63V, S67A, T78A Integrin alpha-L × 1 （P20701） MG MAGNESIUM ION × 1 X-RAY DIFFRACTION X-ray crystallization conditions：EVAPORATION；pH 6；277 K；pH 6.0, EVAPORATION, temperature 277K Resolution 3.60 Å R-free 0.234
5 Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count Chain I； UniProt 29–112 Fragment：DOMAIN 1, unp residues 29-112 Mutation：T2V, I10T, T23A, P38V, P63V, S67A, T78A Integrin alpha-L × 1 （P20701） MG MAGNESIUM ION × 1 X-RAY DIFFRACTION X-ray crystallization conditions：EVAPORATION；pH 6；277 K；pH 6.0, EVAPORATION, temperature 277K Resolution 3.60 Å R-free 0.234
6 Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count Chain K； UniProt 29–112 Fragment：DOMAIN 1, unp residues 29-112 Mutation：T2V, I10T, T23A, P38V, P63V, S67A, T78A Integrin alpha-L × 1 （P20701） MG MAGNESIUM ION × 1 X-RAY DIFFRACTION X-ray crystallization conditions：EVAPORATION；pH 6；277 K；pH 6.0, EVAPORATION, temperature 277K Resolution 3.60 Å R-free 0.234
7 Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count Chain M； UniProt 29–112 Fragment：DOMAIN 1, unp residues 29-112 Mutation：T2V, I10T, T23A, P38V, P63V, S67A, T78A Integrin alpha-L × 1 （P20701） MG MAGNESIUM ION × 1 X-RAY DIFFRACTION X-ray crystallization conditions：EVAPORATION；pH 6；277 K；pH 6.0, EVAPORATION, temperature 277K Resolution 3.60 Å R-free 0.234
8 Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count Chain O； UniProt 29–112 Fragment：DOMAIN 1, unp residues 29-112 Mutation：T2V, I10T, T23A, P38V, P63V, S67A, T78A Integrin alpha-L × 1 （P20701） MG MAGNESIUM ION × 1 X-RAY DIFFRACTION X-ray crystallization conditions：EVAPORATION；pH 6；277 K；pH 6.0, EVAPORATION, temperature 277K Resolution 3.60 Å R-free 0.234
9 Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count Chain Q； UniProt 29–112 Fragment：DOMAIN 1, unp residues 29-112 Mutation：T2V, I10T, T23A, P38V, P63V, S67A, T78A Integrin alpha-L × 1 （P20701） MG MAGNESIUM ION × 1 X-RAY DIFFRACTION X-ray crystallization conditions：EVAPORATION；pH 6；277 K；pH 6.0, EVAPORATION, temperature 277K Resolution 3.60 Å R-free 0.234

Other States of the Same Protein in the Database

Each row is a biological assembly of the same UniProt protein in another PDB entry. The “Difference from current entry” column identifies evidence-level differences; no tag means the currently parsed fields agree.

Other PDB Difference from Current Entry 3TCX Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
1D3E CRYO-EM STRUCTURE OF HUMAN RHINOVIRUS 16 (HRV16) COMPLEXED WITH A TWO-DOMAIN FRAGMENT OF ITS CELLULAR RECEPTOR, INTERCELLULAR ADHESION MOLECULE-1 (D1D2-ICAM-1). IMPLICATIONS FOR VIRUS-RECEPTOR INTERACTIONS. ALPHA CARBONS ONLY Deposited 1999-09-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 300 PDB declaration: 300-MERIC
Chain 1 28–212（185 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions HRV16 WAS INCUBATED WITH D1D2-ICAM-1 FOR 16 HOURS AT 34 DEGREES CELSIUS (307 KELVIN) USING A SIXTEEN-FOLD EXCESS OF D1D2-ICAM-1 FOR EACH OF THE SIXTY POSSIBLE BINDING SITES PER VIRION. AFTER INCUBATION, SAMPLES WERE PREPARED AS THIN LAYERS OF VITREOUS ICE AND MAINTAINED AT NEAR LIQUID NITROGEN TEMPERATURE IN THE ELECTRON MICROSCOPE WITH A GATAN 626 CRYOTRANSFER HOLDER
Resolution 28.00 Å
1D3E CRYO-EM STRUCTURE OF HUMAN RHINOVIRUS 16 (HRV16) COMPLEXED WITH A TWO-DOMAIN FRAGMENT OF ITS CELLULAR RECEPTOR, INTERCELLULAR ADHESION MOLECULE-1 (D1D2-ICAM-1). IMPLICATIONS FOR VIRUS-RECEPTOR INTERACTIONS. ALPHA CARBONS ONLY Deposited 1999-09-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Heteromer；Protein × 5 PDB declaration: pentameric
Chain 1 28–212（185 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions HRV16 WAS INCUBATED WITH D1D2-ICAM-1 FOR 16 HOURS AT 34 DEGREES CELSIUS (307 KELVIN) USING A SIXTEEN-FOLD EXCESS OF D1D2-ICAM-1 FOR EACH OF THE SIXTY POSSIBLE BINDING SITES PER VIRION. AFTER INCUBATION, SAMPLES WERE PREPARED AS THIN LAYERS OF VITREOUS ICE AND MAINTAINED AT NEAR LIQUID NITROGEN TEMPERATURE IN THE ELECTRON MICROSCOPE WITH A GATAN 626 CRYOTRANSFER HOLDER
Resolution 28.00 Å
1D3E CRYO-EM STRUCTURE OF HUMAN RHINOVIRUS 16 (HRV16) COMPLEXED WITH A TWO-DOMAIN FRAGMENT OF ITS CELLULAR RECEPTOR, INTERCELLULAR ADHESION MOLECULE-1 (D1D2-ICAM-1). IMPLICATIONS FOR VIRUS-RECEPTOR INTERACTIONS. ALPHA CARBONS ONLY Deposited 1999-09-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Insufficient information Heteromer；Protein × 25 PDB declaration: 25-meric
Chain 1 28–212（185 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions HRV16 WAS INCUBATED WITH D1D2-ICAM-1 FOR 16 HOURS AT 34 DEGREES CELSIUS (307 KELVIN) USING A SIXTEEN-FOLD EXCESS OF D1D2-ICAM-1 FOR EACH OF THE SIXTY POSSIBLE BINDING SITES PER VIRION. AFTER INCUBATION, SAMPLES WERE PREPARED AS THIN LAYERS OF VITREOUS ICE AND MAINTAINED AT NEAR LIQUID NITROGEN TEMPERATURE IN THE ELECTRON MICROSCOPE WITH A GATAN 626 CRYOTRANSFER HOLDER
Resolution 28.00 Å
1D3E CRYO-EM STRUCTURE OF HUMAN RHINOVIRUS 16 (HRV16) COMPLEXED WITH A TWO-DOMAIN FRAGMENT OF ITS CELLULAR RECEPTOR, INTERCELLULAR ADHESION MOLECULE-1 (D1D2-ICAM-1). IMPLICATIONS FOR VIRUS-RECEPTOR INTERACTIONS. ALPHA CARBONS ONLY Deposited 1999-09-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 4 Insufficient information Heteromer；Protein × 30 PDB declaration: 30-meric
Chain 1 28–212（185 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions HRV16 WAS INCUBATED WITH D1D2-ICAM-1 FOR 16 HOURS AT 34 DEGREES CELSIUS (307 KELVIN) USING A SIXTEEN-FOLD EXCESS OF D1D2-ICAM-1 FOR EACH OF THE SIXTY POSSIBLE BINDING SITES PER VIRION. AFTER INCUBATION, SAMPLES WERE PREPARED AS THIN LAYERS OF VITREOUS ICE AND MAINTAINED AT NEAR LIQUID NITROGEN TEMPERATURE IN THE ELECTRON MICROSCOPE WITH A GATAN 626 CRYOTRANSFER HOLDER
Resolution 28.00 Å
1D3E CRYO-EM STRUCTURE OF HUMAN RHINOVIRUS 16 (HRV16) COMPLEXED WITH A TWO-DOMAIN FRAGMENT OF ITS CELLULAR RECEPTOR, INTERCELLULAR ADHESION MOLECULE-1 (D1D2-ICAM-1). IMPLICATIONS FOR VIRUS-RECEPTOR INTERACTIONS. ALPHA CARBONS ONLY Deposited 1999-09-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 5 Insufficient information Heteromer；Protein × 5 PDB declaration: pentameric
Chain 1 28–212（185 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions HRV16 WAS INCUBATED WITH D1D2-ICAM-1 FOR 16 HOURS AT 34 DEGREES CELSIUS (307 KELVIN) USING A SIXTEEN-FOLD EXCESS OF D1D2-ICAM-1 FOR EACH OF THE SIXTY POSSIBLE BINDING SITES PER VIRION. AFTER INCUBATION, SAMPLES WERE PREPARED AS THIN LAYERS OF VITREOUS ICE AND MAINTAINED AT NEAR LIQUID NITROGEN TEMPERATURE IN THE ELECTRON MICROSCOPE WITH A GATAN 626 CRYOTRANSFER HOLDER
Resolution 28.00 Å
1D3I CRYO-EM STRUCTURE OF HUMAN RHINOVIRUS 14 (HRV14) COMPLEXED WITH A TWO-DOMAIN FRAGMENT OF ITS CELLULAR RECEPTOR, INTERCELLULAR ADHESION MOLECULE-1 (D1D2-ICAM-1). IMPLICATIONS FOR VIRUS-RECEPTOR INTERACTIONS. ALPHA CARBONS ONLY Deposited 1999-09-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 300 PDB declaration: 300-MERIC
Chain I 28–212（185 aa） Fragment：FIRST TWO DOMAINS, RESIDUES 1-185
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions HRV14 WAS INCUBATED WITH D1D2-ICAM-1 FOR 30 MINUTES AT 4 DEGREES CELSIUS (277 KELVIN) USING AN EIGHT-FOLD EXCESS OF D1D2-ICAM-1 FOR EACH OF THE SIXTY POSSIBLE BINDING SITES PER VIRION. AFTER INCUBATION, SAMPLES WERE PREPARED AS THIN LAYERS OF VITREOUS ICE AND MAINTAINED AT NEAR LIQUID NITROGEN TEMPERATURE IN THE ELECTRON MICROSCOPE WITH A GATAN 626 CRYOTRANSFER HOLDER.
Resolution 26.00 Å
1D3I CRYO-EM STRUCTURE OF HUMAN RHINOVIRUS 14 (HRV14) COMPLEXED WITH A TWO-DOMAIN FRAGMENT OF ITS CELLULAR RECEPTOR, INTERCELLULAR ADHESION MOLECULE-1 (D1D2-ICAM-1). IMPLICATIONS FOR VIRUS-RECEPTOR INTERACTIONS. ALPHA CARBONS ONLY Deposited 1999-09-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain I 28–212（185 aa） Fragment：FIRST TWO DOMAINS, RESIDUES 1-185
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions HRV14 WAS INCUBATED WITH D1D2-ICAM-1 FOR 30 MINUTES AT 4 DEGREES CELSIUS (277 KELVIN) USING AN EIGHT-FOLD EXCESS OF D1D2-ICAM-1 FOR EACH OF THE SIXTY POSSIBLE BINDING SITES PER VIRION. AFTER INCUBATION, SAMPLES WERE PREPARED AS THIN LAYERS OF VITREOUS ICE AND MAINTAINED AT NEAR LIQUID NITROGEN TEMPERATURE IN THE ELECTRON MICROSCOPE WITH A GATAN 626 CRYOTRANSFER HOLDER.
Resolution 26.00 Å
1D3I CRYO-EM STRUCTURE OF HUMAN RHINOVIRUS 14 (HRV14) COMPLEXED WITH A TWO-DOMAIN FRAGMENT OF ITS CELLULAR RECEPTOR, INTERCELLULAR ADHESION MOLECULE-1 (D1D2-ICAM-1). IMPLICATIONS FOR VIRUS-RECEPTOR INTERACTIONS. ALPHA CARBONS ONLY Deposited 1999-09-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 25 PDB declaration: 25-meric
Chain I 28–212（185 aa） Fragment：FIRST TWO DOMAINS, RESIDUES 1-185
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions HRV14 WAS INCUBATED WITH D1D2-ICAM-1 FOR 30 MINUTES AT 4 DEGREES CELSIUS (277 KELVIN) USING AN EIGHT-FOLD EXCESS OF D1D2-ICAM-1 FOR EACH OF THE SIXTY POSSIBLE BINDING SITES PER VIRION. AFTER INCUBATION, SAMPLES WERE PREPARED AS THIN LAYERS OF VITREOUS ICE AND MAINTAINED AT NEAR LIQUID NITROGEN TEMPERATURE IN THE ELECTRON MICROSCOPE WITH A GATAN 626 CRYOTRANSFER HOLDER.
Resolution 26.00 Å
1D3I CRYO-EM STRUCTURE OF HUMAN RHINOVIRUS 14 (HRV14) COMPLEXED WITH A TWO-DOMAIN FRAGMENT OF ITS CELLULAR RECEPTOR, INTERCELLULAR ADHESION MOLECULE-1 (D1D2-ICAM-1). IMPLICATIONS FOR VIRUS-RECEPTOR INTERACTIONS. ALPHA CARBONS ONLY Deposited 1999-09-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 30 PDB declaration: 30-meric
Chain I 28–212（185 aa） Fragment：FIRST TWO DOMAINS, RESIDUES 1-185
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions HRV14 WAS INCUBATED WITH D1D2-ICAM-1 FOR 30 MINUTES AT 4 DEGREES CELSIUS (277 KELVIN) USING AN EIGHT-FOLD EXCESS OF D1D2-ICAM-1 FOR EACH OF THE SIXTY POSSIBLE BINDING SITES PER VIRION. AFTER INCUBATION, SAMPLES WERE PREPARED AS THIN LAYERS OF VITREOUS ICE AND MAINTAINED AT NEAR LIQUID NITROGEN TEMPERATURE IN THE ELECTRON MICROSCOPE WITH A GATAN 626 CRYOTRANSFER HOLDER.
Resolution 26.00 Å
1D3I CRYO-EM STRUCTURE OF HUMAN RHINOVIRUS 14 (HRV14) COMPLEXED WITH A TWO-DOMAIN FRAGMENT OF ITS CELLULAR RECEPTOR, INTERCELLULAR ADHESION MOLECULE-1 (D1D2-ICAM-1). IMPLICATIONS FOR VIRUS-RECEPTOR INTERACTIONS. ALPHA CARBONS ONLY Deposited 1999-09-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 5 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain I 28–212（185 aa） Fragment：FIRST TWO DOMAINS, RESIDUES 1-185
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions HRV14 WAS INCUBATED WITH D1D2-ICAM-1 FOR 30 MINUTES AT 4 DEGREES CELSIUS (277 KELVIN) USING AN EIGHT-FOLD EXCESS OF D1D2-ICAM-1 FOR EACH OF THE SIXTY POSSIBLE BINDING SITES PER VIRION. AFTER INCUBATION, SAMPLES WERE PREPARED AS THIN LAYERS OF VITREOUS ICE AND MAINTAINED AT NEAR LIQUID NITROGEN TEMPERATURE IN THE ELECTRON MICROSCOPE WITH A GATAN 626 CRYOTRANSFER HOLDER.
Resolution 26.00 Å
1D3L D1D2-ICAM-1 FULLY GLYCOSYLATED, VARIATION OF D1-D2 INTERDOMAIN ANGLE IN DIFFERENT CRYSTAL STRUCTURES. Deposited 1999-09-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 28–212（185 aa） Fragment：FIRST TWO DOMAINS, RESIDUES 1-185
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions PROTEIN WAS DESIALATED WITH NEURAMINIDASE (8 HR AT 37 DEGREES IN 100 MM SODIUM ACETATE, PH 6.5, 10 MG/ML PROTEIN, 0.1 ENZYME UNIT/ML), DIALYZED AGAINST 10 MM TRIS, 25 MM NACL (PH 6.0), AND PASSED THROUGH MONO-Q COLUMN. DESIALATED MATERIAL WAS CRYSTALLIZED BY HANGING DROP METHODS: 17 MG/ML PROTEIN IN BUFFER: 10 MM TRIS,25 MM NACL,1 MM MGCL2,1 MM CACL2, WAS PRECIPITATED FROM 24-27% PEG 3350 IN SAME BUFFER.
Resolution 3.25 Å
1IAM STRUCTURE OF THE TWO AMINO-TERMINAL DOMAINS OF HUMAN INTERCELLULAR ADHESION MOLECULE-1, ICAM-1 Deposited 1998-02-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 28–212（185 aa） Fragment：TWO N-TERMINAL, IMMUNOGLOBULIN DOMAINS
Mutation：N103Q, N118Q, N156Q NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.5；PROTEIN IN 10 MM TRIS, PH 7.5, 25 MM NACL, WAS CRYSTALLIZED FROM 20% PEG 4000 IN 10 MM TRIS AS PRECIPITANT
Resolution 2.10 Å R-free 0.303
1IC1 THE CRYSTAL STRUCTURE FOR THE N-TERMINAL TWO DOMAINS OF ICAM-1 Deposited 1998-03-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 28–217（190 aa） Fragment：N-TERMINAL 190 RESIDUE DOMAIN
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 6 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；17% PEG 4000, NA CACODYLATE, PH 6.5, AND 100 MM B-OCTYL-GLUCOPYRANOSIDE.
Resolution 3.00 Å R-free 0.279
1IC1 THE CRYSTAL STRUCTURE FOR THE N-TERMINAL TWO DOMAINS OF ICAM-1 Deposited 1998-03-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 28–217（190 aa） Fragment：N-TERMINAL 190 RESIDUE DOMAIN
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；17% PEG 4000, NA CACODYLATE, PH 6.5, AND 100 MM B-OCTYL-GLUCOPYRANOSIDE.
Resolution 3.00 Å R-free 0.279
1MQ8 Crystal structure of alphaL I domain in complex with ICAM-1 Deposited 2002-09-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 28–318（291 aa） Fragment：domains 1 and 2
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.6；298 K；25% PEG 4000, 0.1 M sodium acetate, pH 4.6, VAPOR DIFFUSION, HANGING DROP at 298K
Resolution 3.30 Å R-free 0.313
1MQ8 Crystal structure of alphaL I domain in complex with ICAM-1 Deposited 2002-09-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Other combination Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 28–318（291 aa） Fragment：domains 1 and 2
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.6；298 K；25% PEG 4000, 0.1 M sodium acetate, pH 4.6, VAPOR DIFFUSION, HANGING DROP at 298K
Resolution 3.30 Å R-free 0.313
1P53 The Crystal Structure of ICAM-1 D3-D5 fragment Deposited 2003-04-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 212–477（266 aa） Fragment：ICAM-1 extracellular Domain 3-5, ecto-fragment
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；293 K；15mg/ml protein, NH4H2PO4, 0.1 M Na-citrate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 3.06 Å R-free 0.252
1P53 The Crystal Structure of ICAM-1 D3-D5 fragment Deposited 2003-04-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 212–477（266 aa） Fragment：ICAM-1 extracellular Domain 3-5, ecto-fragment
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；293 K；15mg/ml protein, NH4H2PO4, 0.1 M Na-citrate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 3.06 Å R-free 0.252
1Z7Z Cryo-em structure of human coxsackievirus A21 complexed with five domain icam-1kilifi Deposited 2005-03-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 360 PDB declaration: 360-MERIC
Chain I 28–477（450 aa） Fragment：ICAM-1 EXTRACELLULAR DOMAIN 1-5
Mutation：K29M NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 480 ELECTRON MICROSCOPY
cryo-EM buffer TRIS；pH 7.2；TRIS
cryo-EM vitrification conditions Cryogen ETHANE；PLUNGED INTO ETHANE AT LIQUID NITROGEN TEMPERATURE
Resolution 8.00 Å
1Z7Z Cryo-em structure of human coxsackievirus A21 complexed with five domain icam-1kilifi Deposited 2005-03-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric
Chain I 28–477（450 aa） Fragment：ICAM-1 EXTRACELLULAR DOMAIN 1-5
Mutation：K29M NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 8 ELECTRON MICROSCOPY
cryo-EM buffer TRIS；pH 7.2；TRIS
cryo-EM vitrification conditions Cryogen ETHANE；PLUNGED INTO ETHANE AT LIQUID NITROGEN TEMPERATURE
Resolution 8.00 Å
1Z7Z Cryo-em structure of human coxsackievirus A21 complexed with five domain icam-1kilifi Deposited 2005-03-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 30 PDB declaration: 30-meric
Chain I 28–477（450 aa） Fragment：ICAM-1 EXTRACELLULAR DOMAIN 1-5
Mutation：K29M NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 40 ELECTRON MICROSCOPY
cryo-EM buffer TRIS；pH 7.2；TRIS
cryo-EM vitrification conditions Cryogen ETHANE；PLUNGED INTO ETHANE AT LIQUID NITROGEN TEMPERATURE
Resolution 8.00 Å
1Z7Z Cryo-em structure of human coxsackievirus A21 complexed with five domain icam-1kilifi Deposited 2005-03-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 36 PDB declaration: 36-meric
Chain I 28–477（450 aa） Fragment：ICAM-1 EXTRACELLULAR DOMAIN 1-5
Mutation：K29M NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 48 ELECTRON MICROSCOPY
cryo-EM buffer TRIS；pH 7.2；TRIS
cryo-EM vitrification conditions Cryogen ETHANE；PLUNGED INTO ETHANE AT LIQUID NITROGEN TEMPERATURE
Resolution 8.00 Å
1Z7Z Cryo-em structure of human coxsackievirus A21 complexed with five domain icam-1kilifi Deposited 2005-03-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 5 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric
Chain I 28–477（450 aa） Fragment：ICAM-1 EXTRACELLULAR DOMAIN 1-5
Mutation：K29M NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 8 ELECTRON MICROSCOPY
cryo-EM buffer TRIS；pH 7.2；TRIS
cryo-EM vitrification conditions Cryogen ETHANE；PLUNGED INTO ETHANE AT LIQUID NITROGEN TEMPERATURE
Resolution 8.00 Å
5MZA The DBLb domain of PF11_0521 PfEMP1 bound to human ICAM-1 Deposited 2017-01-31 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 28–212（185 aa）
Not recorded 3PO TRIPHOSPHATE × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 IHP INOSITOL HEXAKISPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；10% (w/v) PEG 20000, 20% (v/v) PEG 500 and 0.1M Tris-BICINE (pH 8.5)
Resolution 2.78 Å R-free 0.236
6EIT Coxsackievirus A24v in complex with the D1-D2 fragment of ICAM-1 Deposited 2017-09-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 240 PDB declaration: 240-meric
Chain 4 28–112（85 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5；TBS buffer (Coxsackievirus A24v) Phosphate buffer (ICAM-1 D1-D2)
cryo-EM vitrification conditions Cryogen ETHANE；On-grid binding of the receptor was performed by applying 3 microliters of ICAM-1 (9.85 mg/ml) to the pre-blotted, virus-containing grid, and leaving for 30 seconds before blotting and freezing
Resolution 3.90 Å
6S8U Structure of the PfEMP1 IT4var13 DBLbeta domain bound to ICAM-1 Deposited 2019-07-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 28–212（185 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；0.1M Tris pH 8, 25% PEG 350 MME
Resolution 3.67 Å R-free 0.286
7BG7 HRV14 in complex with its receptor ICAM-1 Deposited 2021-01-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 300 PDB declaration: 300-meric
Chain B 28–480（453 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4；PBS
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.40 Å

12 other PDB entries and 27 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name ICAM1_HUMAN
Isoform —
PDB entities 1
Chains and sequence ranges Author chain A； PDBConstruct 3–85； UniProt 29–112 Author chain C； PDBConstruct 3–85； UniProt 29–112 Author chain E； PDBConstruct 3–85； UniProt 29–112 Author chain G； PDBConstruct 3–85； UniProt 29–112 Author chain I； PDBConstruct 3–85； UniProt 29–112 Author chain K； PDBConstruct 3–85； UniProt 29–112 Author chain M； PDBConstruct 3–85； UniProt 29–112 Author chain O； PDBConstruct 3–85； UniProt 29–112 Author chain Q； PDBConstruct 3–85； UniProt 29–112 Author chain S； PDBConstruct 3–85； UniProt 29–112 Author chain U； PDBConstruct 3–85； UniProt 29–112 Author chain W； PDBConstruct 3–85； UniProt 29–112 Author chain Y； PDBConstruct 3–85； UniProt 29–112 Author chain a； PDBConstruct 3–85； UniProt 29–112

Integrin alpha-L

Homo sapiens

UniProt P20701

State in the Current Structure

Assembly Oligomeric State Construct Mutations and Modifications Ligands, Ions and Associated Components Method and Experimental Conditions Structure Quality
1 Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count Chain B； UniProt 154–332 Fragment：I DOMAIN, unp residues 154-332 Mutation：F265S Intercellular adhesion molecule 1 × 1 （P05362） MG MAGNESIUM ION × 1 X-RAY DIFFRACTION X-ray crystallization conditions：EVAPORATION；pH 6；277 K；pH 6.0, EVAPORATION, temperature 277K Resolution 3.60 Å R-free 0.234
10 Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count Chain T； UniProt 154–332 Fragment：I DOMAIN, unp residues 154-332 Mutation：F265S Intercellular adhesion molecule 1 × 1 （P05362） MG MAGNESIUM ION × 1 X-RAY DIFFRACTION X-ray crystallization conditions：EVAPORATION；pH 6；277 K；pH 6.0, EVAPORATION, temperature 277K Resolution 3.60 Å R-free 0.234
11 Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count Chain V； UniProt 154–332 Fragment：I DOMAIN, unp residues 154-332 Mutation：F265S Intercellular adhesion molecule 1 × 1 （P05362） MG MAGNESIUM ION × 1 X-RAY DIFFRACTION X-ray crystallization conditions：EVAPORATION；pH 6；277 K；pH 6.0, EVAPORATION, temperature 277K Resolution 3.60 Å R-free 0.234
12 Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count Chain X； UniProt 154–332 Fragment：I DOMAIN, unp residues 154-332 Mutation：F265S Intercellular adhesion molecule 1 × 1 （P05362） MG MAGNESIUM ION × 1 X-RAY DIFFRACTION X-ray crystallization conditions：EVAPORATION；pH 6；277 K；pH 6.0, EVAPORATION, temperature 277K Resolution 3.60 Å R-free 0.234
13 Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count Chain Z； UniProt 154–332 Fragment：I DOMAIN, unp residues 154-332 Mutation：F265S Intercellular adhesion molecule 1 × 1 （P05362） MG MAGNESIUM ION × 1 X-RAY DIFFRACTION X-ray crystallization conditions：EVAPORATION；pH 6；277 K；pH 6.0, EVAPORATION, temperature 277K Resolution 3.60 Å R-free 0.234
14 Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count Chain b； UniProt 154–332 Fragment：I DOMAIN, unp residues 154-332 Mutation：F265S Intercellular adhesion molecule 1 × 1 （P05362） MG MAGNESIUM ION × 1 X-RAY DIFFRACTION X-ray crystallization conditions：EVAPORATION；pH 6；277 K；pH 6.0, EVAPORATION, temperature 277K Resolution 3.60 Å R-free 0.234
2 Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count Chain D； UniProt 154–332 Fragment：I DOMAIN, unp residues 154-332 Mutation：F265S Intercellular adhesion molecule 1 × 1 （P05362） MG MAGNESIUM ION × 1 X-RAY DIFFRACTION X-ray crystallization conditions：EVAPORATION；pH 6；277 K；pH 6.0, EVAPORATION, temperature 277K Resolution 3.60 Å R-free 0.234
3 Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count Chain F； UniProt 154–332 Fragment：I DOMAIN, unp residues 154-332 Mutation：F265S Intercellular adhesion molecule 1 × 1 （P05362） MG MAGNESIUM ION × 1 X-RAY DIFFRACTION X-ray crystallization conditions：EVAPORATION；pH 6；277 K；pH 6.0, EVAPORATION, temperature 277K Resolution 3.60 Å R-free 0.234
4 Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count Chain H； UniProt 154–332 Fragment：I DOMAIN, unp residues 154-332 Mutation：F265S Intercellular adhesion molecule 1 × 1 （P05362） MG MAGNESIUM ION × 1 X-RAY DIFFRACTION X-ray crystallization conditions：EVAPORATION；pH 6；277 K；pH 6.0, EVAPORATION, temperature 277K Resolution 3.60 Å R-free 0.234
5 Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count Chain J； UniProt 154–332 Fragment：I DOMAIN, unp residues 154-332 Mutation：F265S Intercellular adhesion molecule 1 × 1 （P05362） MG MAGNESIUM ION × 1 X-RAY DIFFRACTION X-ray crystallization conditions：EVAPORATION；pH 6；277 K；pH 6.0, EVAPORATION, temperature 277K Resolution 3.60 Å R-free 0.234
6 Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count Chain L； UniProt 154–332 Fragment：I DOMAIN, unp residues 154-332 Mutation：F265S Intercellular adhesion molecule 1 × 1 （P05362） MG MAGNESIUM ION × 1 X-RAY DIFFRACTION X-ray crystallization conditions：EVAPORATION；pH 6；277 K；pH 6.0, EVAPORATION, temperature 277K Resolution 3.60 Å R-free 0.234
7 Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count Chain N； UniProt 154–332 Fragment：I DOMAIN, unp residues 154-332 Mutation：F265S Intercellular adhesion molecule 1 × 1 （P05362） MG MAGNESIUM ION × 1 X-RAY DIFFRACTION X-ray crystallization conditions：EVAPORATION；pH 6；277 K；pH 6.0, EVAPORATION, temperature 277K Resolution 3.60 Å R-free 0.234
8 Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count Chain P； UniProt 154–332 Fragment：I DOMAIN, unp residues 154-332 Mutation：F265S Intercellular adhesion molecule 1 × 1 （P05362） MG MAGNESIUM ION × 1 X-RAY DIFFRACTION X-ray crystallization conditions：EVAPORATION；pH 6；277 K；pH 6.0, EVAPORATION, temperature 277K Resolution 3.60 Å R-free 0.234
9 Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count Chain R； UniProt 154–332 Fragment：I DOMAIN, unp residues 154-332 Mutation：F265S Intercellular adhesion molecule 1 × 1 （P05362） MG MAGNESIUM ION × 1 X-RAY DIFFRACTION X-ray crystallization conditions：EVAPORATION；pH 6；277 K；pH 6.0, EVAPORATION, temperature 277K Resolution 3.60 Å R-free 0.234

Other States of the Same Protein in the Database

Each row is a biological assembly of the same UniProt protein in another PDB entry. The “Difference from current entry” column identifies evidence-level differences; no tag means the currently parsed fields agree.

Other PDB Difference from Current Entry 3TCX Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
1CQP CRYSTAL STRUCTURE ANALYSIS OF THE COMPLEX LFA-1 (CD11A) I-DOMAIN / LOVASTATIN AT 2.6 A RESOLUTION Deposited 1999-08-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 153–334（182 aa） Fragment：I-DOMAIN, RESIDUES 153-334
Not recorded MG MAGNESIUM ION × 1 803 LOVASTATIN × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；PEG 6000, HEPES, MAGNESIUM SULFATE, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.60 Å R-free 0.257
1CQP CRYSTAL STRUCTURE ANALYSIS OF THE COMPLEX LFA-1 (CD11A) I-DOMAIN / LOVASTATIN AT 2.6 A RESOLUTION Deposited 1999-08-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 153–334（182 aa） Fragment：I-DOMAIN, RESIDUES 153-334
Not recorded MG MAGNESIUM ION × 1 803 LOVASTATIN × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；PEG 6000, HEPES, MAGNESIUM SULFATE, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.60 Å R-free 0.257
1DGQ NMR SOLUTION STRUCTURE OF THE INSERTED DOMAIN OF HUMAN LEUKOCYTE FUNCTION ASSOCIATED ANTIGEN-1 Deposited 1999-11-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 149–336（188 aa） Fragment：INSERTED DOMAIN
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 7.2；295 K；Pressure AMBIENT
NMR measurement conditions pH 7.3；295 K；Pressure AMBIENT
NMR sample composition 1.2 MM NMR SAMPLE OF PURIFIED AND UNIFORMLY 15N/13C ISOTOPICALLY LABELED LFA-1 I-DOMAIN
NMR sample composition 1.2 MM 15N UNIFORMLY LABELED SAMPLE WAS ALSO PREPARED IN THE FOLLOWING CONDITIONS THAT WERE LESS AFFECTED BY LINE BROADENING
Resolution not provided
1LFA CD11A I-DOMAIN WITH BOUND MN++ Deposited 1995-09-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 150–336（187 aa）
Chain B 150–336（187 aa）
Not recorded MN MANGANESE (II) ION × 2 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.2；pH 5.2
Resolution 1.80 Å R-free 0.251
1MJN Crystal Structure of the intermediate affinity aL I domain mutant Deposited 2002-08-28 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 153–331（179 aa） Fragment：Intermediate Affinity aL I Domain
Mutation：L161C, F299C MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；PEG 4000, MgCl2, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.30 Å R-free 0.202
1MQ8 Crystal structure of alphaL I domain in complex with ICAM-1 Deposited 2002-09-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 155–331（177 aa） Fragment：Integrin alphaL I domain
Mutation：L186C, F324C NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.6；298 K；25% PEG 4000, 0.1 M sodium acetate, pH 4.6, VAPOR DIFFUSION, HANGING DROP at 298K
Resolution 3.30 Å R-free 0.313
1MQ8 Crystal structure of alphaL I domain in complex with ICAM-1 Deposited 2002-09-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Other combination Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 155–331（177 aa） Fragment：Integrin alphaL I domain
Mutation：L186C, F324C NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.6；298 K；25% PEG 4000, 0.1 M sodium acetate, pH 4.6, VAPOR DIFFUSION, HANGING DROP at 298K
Resolution 3.30 Å R-free 0.313
1MQ9 Crystal structure of high affinity alphaL I domain with ligand mimetic crystal contact Deposited 2002-09-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 153–331（179 aa） Fragment：Integrin alphaL I domain
Mutation：K287C, K294C MN MANGANESE (II) ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；20% PEG 2000 MME, 25 mM MnCl2, pH 7.0, VAPOR DIFFUSION, HANGING DROP at 298K
Resolution 2.00 Å R-free 0.265
1MQA Crystal structure of high affinity alphaL I domain in the absence of ligand or metal Deposited 2002-09-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 153–331（179 aa） Fragment：Integrin alphaL I domain
Mutation：K287C, K294C No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；1.2 M ammonium phosphate, pH 8.0, VAPOR DIFFUSION, HANGING DROP at 298K
Resolution 2.50 Å R-free 0.283
1RD4 An allosteric inhibitor of LFA-1 bound to its I-domain Deposited 2003-11-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 150–336（187 aa） Fragment：I Domain, residues 125-311
Not recorded L08 1-ACETYL-4-(4-{4-[(2-ETHOXYPHENYL)THIO]-3-NITROPHENYL}PYRIDIN-2-YL)PIPERAZINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 4.6；30% (w/v) PEG 4000, 0.2M ammonium acetate, 0.1M sodium acetate, pH 4.6
Resolution 2.40 Å R-free 0.290
1RD4 An allosteric inhibitor of LFA-1 bound to its I-domain Deposited 2003-11-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 150–336（187 aa） Fragment：I Domain, residues 125-311
Not recorded L08 1-ACETYL-4-(4-{4-[(2-ETHOXYPHENYL)THIO]-3-NITROPHENYL}PYRIDIN-2-YL)PIPERAZINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 4.6；30% (w/v) PEG 4000, 0.2M ammonium acetate, 0.1M sodium acetate, pH 4.6
Resolution 2.40 Å R-free 0.290
1RD4 An allosteric inhibitor of LFA-1 bound to its I-domain Deposited 2003-11-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 150–336（187 aa） Fragment：I Domain, residues 125-311
Not recorded L08 1-ACETYL-4-(4-{4-[(2-ETHOXYPHENYL)THIO]-3-NITROPHENYL}PYRIDIN-2-YL)PIPERAZINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 4.6；30% (w/v) PEG 4000, 0.2M ammonium acetate, 0.1M sodium acetate, pH 4.6
Resolution 2.40 Å R-free 0.290
1RD4 An allosteric inhibitor of LFA-1 bound to its I-domain Deposited 2003-11-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 150–336（187 aa） Fragment：I Domain, residues 125-311
Not recorded L08 1-ACETYL-4-(4-{4-[(2-ETHOXYPHENYL)THIO]-3-NITROPHENYL}PYRIDIN-2-YL)PIPERAZINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 4.6；30% (w/v) PEG 4000, 0.2M ammonium acetate, 0.1M sodium acetate, pH 4.6
Resolution 2.40 Å R-free 0.290
1T0P Structural Basis of ICAM recognition by integrin alpahLbeta2 revealed in the complex structure of binding domains of ICAM-3 and alphaLbeta2 at 1.65 A Deposited 2004-04-12 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 153–326（174 aa） Fragment：I domain
Not recorded MG MAGNESIUM ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.4；298 K；PEG MME 5000, (NH4)2SO4, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.66 Å R-free 0.241
1XDD X-ray structure of LFA-1 I-domain in complex with LFA703 at 2.2A resolution Deposited 2004-09-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 152–336（185 aa） Fragment：I-domain
Not recorded MG MAGNESIUM ION × 1 AAY 8-[2-((2S)-4-HYDROXY-1-{[5-(HYDROXYMETHYL)-6-METHOXY-2-NAPHTHYL]METHYL}-6-OXOPIPERIDIN-2-YL)ETHYL]-3,7-DIMETHYL-1,2,3,7,8,8A-HEXAHYDRONAPHTHALEN-1-YL 2-METHYLBUTANOATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.6；293 K；ammonium acetate, sodium acetate, glycerol, PEG4000, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.20 Å R-free 0.206
1XDD X-ray structure of LFA-1 I-domain in complex with LFA703 at 2.2A resolution Deposited 2004-09-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 152–336（185 aa） Fragment：I-domain
Not recorded MG MAGNESIUM ION × 1 AAY 8-[2-((2S)-4-HYDROXY-1-{[5-(HYDROXYMETHYL)-6-METHOXY-2-NAPHTHYL]METHYL}-6-OXOPIPERIDIN-2-YL)ETHYL]-3,7-DIMETHYL-1,2,3,7,8,8A-HEXAHYDRONAPHTHALEN-1-YL 2-METHYLBUTANOATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.6；293 K；ammonium acetate, sodium acetate, glycerol, PEG4000, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.20 Å R-free 0.206
1XDG X-ray structure of LFA-1 I-domain in complex with LFA878 at 2.1A resolution Deposited 2004-09-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 152–336（185 aa） Fragment：I-domain
Not recorded MG MAGNESIUM ION × 1 AB8 (1S,3R,8AS)-8-(2-{(4S,6S)-3-(4-HYDROXY-3-METHOXYBENZYL)-4-[2-(METHYLAMINO)-2-OXOETHYL]-2-OXO-1,3-OXAZINAN-6-YL}ETHYL)-3 ,7-DIMETHYL-1,2,3,7,8,8A-HEXAHYDRONAPHTHALEN-1-YL (2R)-2-METHYLBUTANOATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；293 K；sodium citrate, ammonium acetate, glycerol, PEG4000, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.10 Å R-free 0.213
1XDG X-ray structure of LFA-1 I-domain in complex with LFA878 at 2.1A resolution Deposited 2004-09-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 152–336（185 aa） Fragment：I-domain
Not recorded MG MAGNESIUM ION × 1 AB8 (1S,3R,8AS)-8-(2-{(4S,6S)-3-(4-HYDROXY-3-METHOXYBENZYL)-4-[2-(METHYLAMINO)-2-OXOETHYL]-2-OXO-1,3-OXAZINAN-6-YL}ETHYL)-3 ,7-DIMETHYL-1,2,3,7,8,8A-HEXAHYDRONAPHTHALEN-1-YL (2R)-2-METHYLBUTANOATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；293 K；sodium citrate, ammonium acetate, glycerol, PEG4000, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.10 Å R-free 0.213
1XUO X-ray structure of LFA-1 I-domain bound to a 1,4-diazepane-2,5-dione inhibitor at 1.8A resolution Deposited 2004-10-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 152–336（185 aa） Fragment：I-domain
Not recorded MG MAGNESIUM ION × 1 LA1 (2R)-2-[3-ISOBUTYL-2,5-DIOXO-4-(QUINOLIN-3-YLMETHYL)-1,4-DIAZEPAN-1-YL]-N-METHYL-3-(2-NAPHTHYL)PROPANAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；PEG 6000, HEPES, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.80 Å R-free 0.214
1XUO X-ray structure of LFA-1 I-domain bound to a 1,4-diazepane-2,5-dione inhibitor at 1.8A resolution Deposited 2004-10-26 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 152–336（185 aa） Fragment：I-domain
Not recorded MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；PEG 6000, HEPES, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.80 Å R-free 0.214
1ZON CD11A I-DOMAIN WITHOUT BOUND CATION Deposited 1996-06-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 150–336（187 aa） Fragment：I-DOMAIN FRAGMENT OF LFA-1
Mutation：W189R, MIGHT BE ISOFORM No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 8；pH 8.0
Resolution 2.00 Å R-free 0.243
1ZOO CD11A I-DOMAIN WITH BOUND MAGNESIUM ION Deposited 1996-06-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 150–336（187 aa） Fragment：I-DOMAIN FRAGMENT OF LFA-1
Chain B 150–336（187 aa） Fragment：I-DOMAIN FRAGMENT OF LFA-1
Mutation：W189R, MIGHT BE ISOFORM Mutation：W189R, MIGHT BE ISOFORM MG MAGNESIUM ION × 2 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.2；pH 5.2
Resolution 3.00 Å R-free 0.264
1ZOP CD11A I-DOMAIN WITH BOUND MAGNESIUM ION Deposited 1996-06-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 150–336（187 aa）
Chain B 150–336（187 aa）
Mutation：W189R, MIGHT BE ISOFORM Mutation：W189R, MIGHT BE ISOFORM MN MANGANESE (II) ION × 2 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.2；pH 5.2
Resolution 2.00 Å R-free 0.263
2ICA CD11a (LFA1) I-domain complexed with BMS-587101 aka 5-[(5S, 9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro [4.4]non-7-yl]methyl]-3-thiophenecarboxylicacid Deposited 2006-09-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 154–332（179 aa） Fragment：VWFA domain, residues 154-332
Not recorded 2IC 5-[(5S,9R)-9-(4-CYANOPHENYL)-3-(3,5-DICHLOROPHENYL)-1-METHYL-2,4-DIOXO-1,3,7-TRIAZASPIRO [4.4]NON-7-YL]METHYL]-3-THIOPHENECARBOXYLICACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8.9；293 K；80% (w/v) sodium citrate, 5% (v/v) glycerol, measured pH 8.9, vapor diffusion, hanging drop, temperature 293K
Resolution 1.56 Å R-free 0.223
2K8O Solution structure of integrin Alpha L Deposited 2008-09-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1113–1170（58 aa） Fragment：Cytoplasmic
Mutation：M14I No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 6.2；298 K
NMR sample composition 0.5 mM [U-15N;U-13C] aL, % NaCl, % TCEP, % Phosphate buffer, 90% H2O/10% D2O | 90% H2O/10% D2O
Resolution not provided
2M3E The Integrin Alpha L Transmembrane Domain in Bicelles: Structure and Interaction with Integrin Beta 2 Deposited 2013-01-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1082–1128（47 aa） Fragment：Transmembrane Domain
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 6.5；303 K；Ionic strength (raw mmCIF value) 50；Pressure ambient
NMR sample composition 0.6 mM [U-100% 13C; U-100% 15N] integrin aL TM domain, 50 mM potassium phosphate, 95% H2O/5% D2O | 95% H2O/5% D2O
Resolution not provided
2O7N CD11A (LFA1) I-domain complexed with 7A-[(4-cyanophenyl)methyl]-6-(3,5-dichlorophenyl)-5-oxo-2,3,5,7A-tetrahydro-1H-pyrrolo[1,2-A]pyrrole-7-carbonitrile Deposited 2006-12-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 154–332（179 aa） Fragment：VWFA DOMAIN, RESIDUES 154-332
Not recorded 2O7 7A-[(4-cyanophenyl)methyl]-6-(3,5-dichlorophenyl)-5-oxo-2,3,5,7A-tetrahydro-1H-pyrrolo[1,2-A]pyrrole-7-carbonitrile × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8.9；293 K；78% (W/V) SODIUM CITRATE, 3% (V/V) ETHYLENE GLYCOL, 0.1 M SODIUM CITRATE, PH 5.6 (FINAL PH 8.9), VAPOR DIFFUSION, HANGING DROP, temperature 293K, pH 8.90
Resolution 1.75 Å R-free 0.234
3BN3 crystal structure of ICAM-5 in complex with aL I domain Deposited 2007-12-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 154–332（179 aa） Fragment：I domain
Mutation：F265S, F292G MG MAGNESIUM ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；296 K；0.1M HEPES pH7.5, 7.5%PEG8000, 10%glycerol, 5mM magnesium chloride, VAPOR DIFFUSION, HANGING DROP, temperature 296K
Resolution 2.10 Å R-free 0.235
3BQM LFA-1 I domain bound to inhibitors Deposited 2007-12-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 153–334（182 aa） Fragment：VWFA domain
Not recorded BQM 3-({4-[(1E)-3-morpholin-4-yl-3-oxoprop-1-en-1-yl]-2,3-bis(trifluoromethyl)phenyl}sulfanyl)aniline × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.5；273 K；5% Peg400, 20% Peg3350, 50mM K2HPO4 pH 4.5, 10mM MgCl, 1mM inhibitor, VAPOR DIFFUSION, HANGING DROP, temperature 273K
Resolution 1.95 Å R-free 0.284
3BQM LFA-1 I domain bound to inhibitors Deposited 2007-12-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 153–334（182 aa） Fragment：VWFA domain
Not recorded BQM 3-({4-[(1E)-3-morpholin-4-yl-3-oxoprop-1-en-1-yl]-2,3-bis(trifluoromethyl)phenyl}sulfanyl)aniline × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.5；273 K；5% Peg400, 20% Peg3350, 50mM K2HPO4 pH 4.5, 10mM MgCl, 1mM inhibitor, VAPOR DIFFUSION, HANGING DROP, temperature 273K
Resolution 1.95 Å R-free 0.284
3BQM LFA-1 I domain bound to inhibitors Deposited 2007-12-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 153–334（182 aa） Fragment：VWFA domain
Chain C 153–334（182 aa） Fragment：VWFA domain
Not recorded BQM 3-({4-[(1E)-3-morpholin-4-yl-3-oxoprop-1-en-1-yl]-2,3-bis(trifluoromethyl)phenyl}sulfanyl)aniline × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.5；273 K；5% Peg400, 20% Peg3350, 50mM K2HPO4 pH 4.5, 10mM MgCl, 1mM inhibitor, VAPOR DIFFUSION, HANGING DROP, temperature 273K
Resolution 1.95 Å R-free 0.284
3BQN LFA-1 I domain bound to inhibitors Deposited 2007-12-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 153–334（182 aa） Fragment：VWFA DOMAIN
Not recorded BQN 4-{(2E)-3-[4-{[2-(pyridin-3-ylmethoxy)phenyl]sulfanyl}-2,3-bis(trifluoromethyl)phenyl]prop-2-enoyl}morpholine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.5；298 K；5% Peg400, 20% Peg3350, 50mM K2HPO4 pH 4.5, 10mM MgCl2, 1mM inhibitor, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.80 Å R-free 0.252
3BQN LFA-1 I domain bound to inhibitors Deposited 2007-12-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 153–334（182 aa） Fragment：VWFA DOMAIN
Not recorded BQN 4-{(2E)-3-[4-{[2-(pyridin-3-ylmethoxy)phenyl]sulfanyl}-2,3-bis(trifluoromethyl)phenyl]prop-2-enoyl}morpholine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.5；298 K；5% Peg400, 20% Peg3350, 50mM K2HPO4 pH 4.5, 10mM MgCl2, 1mM inhibitor, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.80 Å R-free 0.252
3BQN LFA-1 I domain bound to inhibitors Deposited 2007-12-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 153–334（182 aa） Fragment：VWFA DOMAIN
Chain C 153–334（182 aa） Fragment：VWFA DOMAIN
Not recorded BQN 4-{(2E)-3-[4-{[2-(pyridin-3-ylmethoxy)phenyl]sulfanyl}-2,3-bis(trifluoromethyl)phenyl]prop-2-enoyl}morpholine × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.5；298 K；5% Peg400, 20% Peg3350, 50mM K2HPO4 pH 4.5, 10mM MgCl2, 1mM inhibitor, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.80 Å R-free 0.252
3E2M LFA-1 I domain bound to inhibitors Deposited 2008-08-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 152–334（183 aa） Fragment：VWFA DOMAIN
Chain B 152–334（183 aa） Fragment：VWFA DOMAIN
Not recorded E2M cis-4-{[2-({4-[(1E)-3-morpholin-4-yl-3-oxoprop-1-en-1-yl]-2,3-bis(trifluoromethyl)phenyl}sulfanyl)phenoxy]methyl}cyclohexanecarboxylic acid × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 4.5；5% PEG400, 20% PEG3350, 50MM K2HPO4 PH 4.5, 10MM MGCL2, 1MM INHIBITOR, pH 4.50, VAPOR DIFFUSION, HANGING DROP
Resolution 2.00 Å R-free 0.287
3E2M LFA-1 I domain bound to inhibitors Deposited 2008-08-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 152–334（183 aa） Fragment：VWFA DOMAIN
Not recorded E2M cis-4-{[2-({4-[(1E)-3-morpholin-4-yl-3-oxoprop-1-en-1-yl]-2,3-bis(trifluoromethyl)phenyl}sulfanyl)phenoxy]methyl}cyclohexanecarboxylic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 4.5；5% PEG400, 20% PEG3350, 50MM K2HPO4 PH 4.5, 10MM MGCL2, 1MM INHIBITOR, pH 4.50, VAPOR DIFFUSION, HANGING DROP
Resolution 2.00 Å R-free 0.287
3E2M LFA-1 I domain bound to inhibitors Deposited 2008-08-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 152–334（183 aa） Fragment：VWFA DOMAIN
Not recorded E2M cis-4-{[2-({4-[(1E)-3-morpholin-4-yl-3-oxoprop-1-en-1-yl]-2,3-bis(trifluoromethyl)phenyl}sulfanyl)phenoxy]methyl}cyclohexanecarboxylic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 4.5；5% PEG400, 20% PEG3350, 50MM K2HPO4 PH 4.5, 10MM MGCL2, 1MM INHIBITOR, pH 4.50, VAPOR DIFFUSION, HANGING DROP
Resolution 2.00 Å R-free 0.287
3EOA Crystal structure the Fab fragment of Efalizumab in complex with LFA-1 I domain, Form I Deposited 2008-09-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain I 153–333（181 aa） Fragment：I domain
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.3；277 K；0.1M sodium citric, 0.2M sodium potassium tartrate, 1.6M ammonium sulfate, pH 5.3, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.80 Å R-free 0.264
3EOA Crystal structure the Fab fragment of Efalizumab in complex with LFA-1 I domain, Form I Deposited 2008-09-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain J 153–333（181 aa） Fragment：I domain
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.3；277 K；0.1M sodium citric, 0.2M sodium potassium tartrate, 1.6M ammonium sulfate, pH 5.3, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.80 Å R-free 0.264
3EOB Crystal structure the Fab fragment of Efalizumab in complex with LFA-1 I domain, Form II Deposited 2008-09-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain I 153–333（181 aa） Fragment：I domain
Not recorded ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.3；277 K；0.1M sodium cacodylate, 0.2M zinc acetate, 11% w/v PEG 8000, pH 7.3, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 3.60 Å R-free 0.333
3EOB Crystal structure the Fab fragment of Efalizumab in complex with LFA-1 I domain, Form II Deposited 2008-09-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain J 153–333（181 aa） Fragment：I domain
Not recorded ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.3；277 K；0.1M sodium cacodylate, 0.2M zinc acetate, 11% w/v PEG 8000, pH 7.3, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 3.60 Å R-free 0.333
3F74 Crystal structure of wild type LFA1 I domain Deposited 2008-11-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 153–332（180 aa） Fragment：UNP residues 153-332, VWFA domain, I domain
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；295 K；o.1M sodium acetate, pH7.5, 0.2M ammonium acetate, 25% PEG3350, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Resolution 1.70 Å R-free 0.178
3F74 Crystal structure of wild type LFA1 I domain Deposited 2008-11-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 153–332（180 aa） Fragment：UNP residues 153-332, VWFA domain, I domain
Not recorded GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；295 K；o.1M sodium acetate, pH7.5, 0.2M ammonium acetate, 25% PEG3350, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Resolution 1.70 Å R-free 0.178
3F74 Crystal structure of wild type LFA1 I domain Deposited 2008-11-07 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 153–332（180 aa） Fragment：UNP residues 153-332, VWFA domain, I domain
Not recorded MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；295 K；o.1M sodium acetate, pH7.5, 0.2M ammonium acetate, 25% PEG3350, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Resolution 1.70 Å R-free 0.178
3F78 Crystal structure of wild type LFA1 I domain complexed with isoflurane Deposited 2008-11-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 153–332（180 aa） Fragment：UNP residues 153-332, VWFA domain, I domain
Not recorded ICF 1-CHLORO-2,2,2-TRIFLUOROETHYL DIFLUOROMETHYL ETHER × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；295 K；0.1M sodium acetate pH7.5, 0.2M ammonium acetate, 25% PEG3350, 10mM isoflurane, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Resolution 1.60 Å R-free 0.181
3F78 Crystal structure of wild type LFA1 I domain complexed with isoflurane Deposited 2008-11-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 153–332（180 aa） Fragment：UNP residues 153-332, VWFA domain, I domain
Not recorded ICF 1-CHLORO-2,2,2-TRIFLUOROETHYL DIFLUOROMETHYL ETHER × 1 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；295 K；0.1M sodium acetate pH7.5, 0.2M ammonium acetate, 25% PEG3350, 10mM isoflurane, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Resolution 1.60 Å R-free 0.181
3F78 Crystal structure of wild type LFA1 I domain complexed with isoflurane Deposited 2008-11-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 153–332（180 aa） Fragment：UNP residues 153-332, VWFA domain, I domain
Not recorded GOL GLYCEROL × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；295 K；0.1M sodium acetate pH7.5, 0.2M ammonium acetate, 25% PEG3350, 10mM isoflurane, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Resolution 1.60 Å R-free 0.181
3HI6 Crystal structure of intermediate affinity I domain of integrin LFA-1 with the Fab fragment of its antibody AL-57 Deposited 2009-05-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 153–332（180 aa） Fragment：UNP residues 153-332
Mutation：L186C, F324C MN MANGANESE (II) ION × 1 SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；298 K；2M (NH4)2SO4, 0.1M NaAc, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.30 Å R-free 0.226
3HI6 Crystal structure of intermediate affinity I domain of integrin LFA-1 with the Fab fragment of its antibody AL-57 Deposited 2009-05-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 153–332（180 aa） Fragment：UNP residues 153-332
Mutation：L186C, F324C MN MANGANESE (II) ION × 1 SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；298 K；2M (NH4)2SO4, 0.1M NaAc, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.30 Å R-free 0.226
3HI6 Crystal structure of intermediate affinity I domain of integrin LFA-1 with the Fab fragment of its antibody AL-57 Deposited 2009-05-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric
Chain A 153–332（180 aa） Fragment：UNP residues 153-332
Chain B 153–332（180 aa） Fragment：UNP residues 153-332
Mutation：L186C, F324C Mutation：L186C, F324C MN MANGANESE (II) ION × 2 SO4 SULFATE ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；298 K；2M (NH4)2SO4, 0.1M NaAc, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.30 Å R-free 0.226
3M6F CD11A I-domain complexed with 6-((5S,9R)-9-(4-CYANOPHENYL)-3-(3,5-DICHLOROPHENYL)-1-METHYL-2,4-DIOXO-1,3,7- TRIAZASPIRO[4.4]NON-7-YL)NICOTINIC ACID Deposited 2010-03-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 154–332（179 aa） Fragment：UNP residues 154-332
Not recorded BJZ 6-[(5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]non-7-yl]pyridine-3-carboxylic acid × 1 NO3 NITRATE ION × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.85 Å R-free 0.227
4IXD X-ray structure of lfa-1 i-domain in complex with ibe-667 at 1.8a resolution Deposited 2013-01-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 152–336（185 aa） Fragment：I-DOMAIN, UNP residues 152-336
Not recorded MG MAGNESIUM ION × 1 1HV 4-(3-{4-[(3-aminopropyl)carbamoyl]phenyl}-1H-indazol-1-yl)-N-methylbenzamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 4.6；293 K；0.085M sodium acetate, pH4.6, 0.17M ammonium acetate, 15% glycerol and 25.5% (w/v) PEG4000 , VAPOR DIFFUSION, temperature 293.0K
Resolution 1.80 Å R-free 0.199
4IXD X-ray structure of lfa-1 i-domain in complex with ibe-667 at 1.8a resolution Deposited 2013-01-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 152–336（185 aa） Fragment：I-DOMAIN, UNP residues 152-336
Not recorded MG MAGNESIUM ION × 2 1HV 4-(3-{4-[(3-aminopropyl)carbamoyl]phenyl}-1H-indazol-1-yl)-N-methylbenzamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 4.6；293 K；0.085M sodium acetate, pH4.6, 0.17M ammonium acetate, 15% glycerol and 25.5% (w/v) PEG4000 , VAPOR DIFFUSION, temperature 293.0K
Resolution 1.80 Å R-free 0.199
5E6R Structures of leukocyte integrin aLb2: The aI domain, the headpiece, and the pocket for the internal ligand Deposited 2015-10-10 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 26–770（745 aa） Fragment：UNP residues 26-615
Not recorded MG MAGNESIUM ION × 1 CA CALCIUM ION × 4 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；0.1 M MES pH 6.5, 15% PEG 3350
Resolution 2.90 Å R-free 0.229
5E6S Structures of leukocyte integrin aLB2: The aI domain, the headpiece, and the pocket for the internal ligand Deposited 2015-10-10 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 26–770（745 aa） Fragment：UNP residues 26-770
Not recorded MG MAGNESIUM ION × 1 CA CALCIUM ION × 5 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4；277 K；0.1 M Tris, pH 8, 0.1 M NaCl, and 8% polyethylene glycol (PEG) 20,000
Resolution 2.15 Å R-free 0.234
5E6S Structures of leukocyte integrin aLB2: The aI domain, the headpiece, and the pocket for the internal ligand Deposited 2015-10-10 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 26–770（745 aa） Fragment：UNP residues 26-770
Not recorded MG MAGNESIUM ION × 1 CA CALCIUM ION × 5 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4；277 K；0.1 M Tris, pH 8, 0.1 M NaCl, and 8% polyethylene glycol (PEG) 20,000
Resolution 2.15 Å R-free 0.234
5E6S Structures of leukocyte integrin aLB2: The aI domain, the headpiece, and the pocket for the internal ligand Deposited 2015-10-10 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain E 26–770（745 aa） Fragment：UNP residues 26-770
Not recorded MG MAGNESIUM ION × 1 CA CALCIUM ION × 5 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4；277 K；0.1 M Tris, pH 8, 0.1 M NaCl, and 8% polyethylene glycol (PEG) 20,000
Resolution 2.15 Å R-free 0.234
5E6S Structures of leukocyte integrin aLB2: The aI domain, the headpiece, and the pocket for the internal ligand Deposited 2015-10-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric
Chain A 26–770（745 aa） Fragment：UNP residues 26-770
Chain C 26–770（745 aa） Fragment：UNP residues 26-770
Chain E 26–770（745 aa） Fragment：UNP residues 26-770
Not recorded MG MAGNESIUM ION × 3 CA CALCIUM ION × 15 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 9 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4；277 K；0.1 M Tris, pH 8, 0.1 M NaCl, and 8% polyethylene glycol (PEG) 20,000
Resolution 2.15 Å R-free 0.234
5E6U Structures of leukocyte integrin aLb2: The aI domain, the headpiece, and the pocket for the internal ligand Deposited 2015-10-10 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 26–770（745 aa） Fragment：UNP residues 26-770
Not recorded MG MAGNESIUM ION × 2 CA CALCIUM ION × 4 CL CHLORIDE ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；0.1 M Mg-formate dehydrate and 15% PEG 3350
Resolution 2.50 Å R-free 0.226
6BXB Crystal structure of an extended b3 integrin P33 Deposited 2017-12-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 153–329（177 aa）
Not recorded CA CALCIUM ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；20% PEG 6000, 0.1 M Tris-HCl (pH 8.5)
Resolution 2.39 Å R-free 0.268
6BXB Crystal structure of an extended b3 integrin P33 Deposited 2017-12-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain B 153–329（177 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；20% PEG 6000, 0.1 M Tris-HCl (pH 8.5)
Resolution 2.39 Å R-free 0.268
6BXF Crystal structure of an extended b3 integrin L33 Deposited 2017-12-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 153–329（177 aa）
Not recorded GOL GLYCEROL × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 CA CALCIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；12% PEG 8000, 0.2 M NaCl, 0.1 M HEPES (pH 7.5)
Resolution 3.20 Å R-free 0.335
6BXF Crystal structure of an extended b3 integrin L33 Deposited 2017-12-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain B 153–329（177 aa）
Not recorded GOL GLYCEROL × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；12% PEG 8000, 0.2 M NaCl, 0.1 M HEPES (pH 7.5)
Resolution 3.20 Å R-free 0.335
6BXJ Structure of a single-chain beta3 integrin Deposited 2017-12-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 153–329（177 aa）
Not recorded MG MAGNESIUM ION × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；10% PEG 8000, 20% 1,5-pentanediol, 4 mM alkalis, 66 mM Gly-Gly, 33 mM AMPD, pH 8.5.
Resolution 2.09 Å R-free 0.234
6CKB Crystal structure of an extended beta3 integrin P33 Deposited 2018-02-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 153–329（177 aa）
Not recorded MG MAGNESIUM ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；277 K；20% PEG 6000, 0.1 M Tris-HCl (pH 8.5)
Resolution 2.80 Å R-free 0.296
6CKB Crystal structure of an extended beta3 integrin P33 Deposited 2018-02-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain B 153–329（177 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 CA CALCIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；277 K；20% PEG 6000, 0.1 M Tris-HCl (pH 8.5)
Resolution 2.80 Å R-free 0.296
7KC3 X-ray structure of Lfa-1 I domain collected at 273 K Deposited 2020-10-05 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 149–341（193 aa）
Not recorded MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；295 K；30% (w/v) PEG 3350 and 0.1 M potassium phosphate dibasic
Resolution 1.80 Å R-free 0.212
7KC5 X-ray structure of Lfa-1 I domain in complex with BMS-68852 collected at 273 K Deposited 2020-10-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 153–334（182 aa）
Not recorded MG MAGNESIUM ION × 1 BJZ 6-[(5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]non-7-yl]pyridine-3-carboxylic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；50 mM Tris pH 8.5, 10 mM MgSO4, 1 mM TCEP and 1 mM BMS-68852
Resolution 1.86 Å R-free 0.216
7KC5 X-ray structure of Lfa-1 I domain in complex with BMS-68852 collected at 273 K Deposited 2020-10-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 153–334（182 aa）
Not recorded MG MAGNESIUM ION × 1 BJZ 6-[(5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]non-7-yl]pyridine-3-carboxylic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；50 mM Tris pH 8.5, 10 mM MgSO4, 1 mM TCEP and 1 mM BMS-68852
Resolution 1.86 Å R-free 0.216
7KC6 X-ray structure of Lfa-1 I domain in complex with Lovastatin collected at 273 K Deposited 2020-10-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 153–334（182 aa）
Not recorded 803 LOVASTATIN × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.2 M NH4NO3 and 20%(w/v) PEG 3350
Resolution 1.85 Å R-free 0.225
7KC6 X-ray structure of Lfa-1 I domain in complex with Lovastatin collected at 273 K Deposited 2020-10-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 153–334（182 aa）
Not recorded 803 LOVASTATIN × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.2 M NH4NO3 and 20%(w/v) PEG 3350
Resolution 1.85 Å R-free 0.225

40 other PDB entries and 71 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name ITAL_HUMAN
Isoform —
PDB entities 2
Chains and sequence ranges Author chain B； PDBConstruct 2–180； UniProt 154–332 Author chain D； PDBConstruct 2–180； UniProt 154–332 Author chain F； PDBConstruct 2–180； UniProt 154–332 Author chain H； PDBConstruct 2–180； UniProt 154–332 Author chain J； PDBConstruct 2–180； UniProt 154–332 Author chain L； PDBConstruct 2–180； UniProt 154–332 Author chain N； PDBConstruct 2–180； UniProt 154–332 Author chain P； PDBConstruct 2–180； UniProt 154–332 Author chain R； PDBConstruct 2–180； UniProt 154–332 Author chain T； PDBConstruct 2–180； UniProt 154–332 Author chain V； PDBConstruct 2–180； UniProt 154–332 Author chain X； PDBConstruct 2–180； UniProt 154–332 Author chain Z； PDBConstruct 2–180； UniProt 154–332 Author chain b； PDBConstruct 2–180； UniProt 154–332

The page prioritizes protein identity, the current assembly, associated components, oligomeric state and cross-PDB links. Chain mapping and sequence ranges are retained as data evidence. Internal IDs, import timestamps and assembly operation expressions are maintenance fields and are not shown here.

SAXS scattering curve SAXS Profile

SAXS profile for 3tcx

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 3tcx
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2. Structure Basics 2. Structure Basics

Entry ID entry_id3tcx
Deposition date deposition_date2011-08-09
Structure title titleStructure of Engineered Single Domain ICAM-1 D1 with High-Affinity aL Integrin I Domain of Native C-Terminal Helix Conformation
Keywords keywordsRossmann Fold, Immunoglobulin-Like Fold, Cell Adhesion, Membrane; CELL ADHESION
Experimental Method methodX-RAY DIFFRACTION
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3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier58.62 Å
Radius of gyration Rg (electron density) rg_electron58.22 Å
Forward intensity I(0) i02283410000.00
Molecular weight molecular_weight417290.0 kDa
Excluded volume excluded_volume528850 ų
Envelope volume envelope_volume810430 ų
Hydration-shell volume shell_volume116630 ų
Envelope diameter envelope_diameter194.1 Å
Shell Rg shell_rg60.86 Å
Envelope Rg envelope_rg56.02 Å
Shape Rg shape_rg58.20 Å
Total Rg total_rg58.37 Å
Total atoms total_atoms29330
Residues n_residues3710
Spherical-harmonic order n_harmonics20
q range q_range— – 0.5000 Å−1
Data points n_points101
Shell type shell_typedirectional
Solvent electron density solvent_density0.3340 e/ų
Shell contrast contrast_shell0.0300 e/ų
CRYSOL version crysol_version4.1.3
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4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

Maximum dimension Dmax dmax194.3 Å
Rg (real space) rg_real58.36 Å
Rg uncertainty (real space) rg_real_error1.82 Å
I(0) (real space) i0_real2.2830e+09
I(0) uncertainty (real space) i0_real_error5.0490e+07
Rg (reciprocal space) rg_reciprocal58.81 Å
I(0) (reciprocal space) i0_reciprocal2285000000.0000
Solution quality estimate total_estimate0.8862
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks1
Primary peak position r_peak_primary72.0 Å
Skewness Skewness skewness0.130
Kurtosis Kurtosis kurtosis-0.497
Angular range angular_range— – 0.1350 Å−1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha119800000.0000
Real-space data points n_real_points28
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.877; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.988; Smooth: 0.896
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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (3)

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7. Fold Classification (SCOP + CATH) 28 domains

CATH v4.4 (28 domains)

Domain ID domain_id3tcxA00
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id3tcxB00
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology50 — Rossmann fold
Homologous superfamily homologous superfamily410 — von Willebrand factor, type A domain
Domain ID domain_id3tcxC00
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id3tcxD00
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology50 — Rossmann fold
Homologous superfamily homologous superfamily410 — von Willebrand factor, type A domain
Domain ID domain_id3tcxE00
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id3tcxF00
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology50 — Rossmann fold
Homologous superfamily homologous superfamily410 — von Willebrand factor, type A domain
Domain ID domain_id3tcxG00
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id3tcxH00
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology50 — Rossmann fold
Homologous superfamily homologous superfamily410 — von Willebrand factor, type A domain
Domain ID domain_id3tcxI00
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id3tcxJ00
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology50 — Rossmann fold
Homologous superfamily homologous superfamily410 — von Willebrand factor, type A domain
Domain ID domain_id3tcxK00
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id3tcxL00
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology50 — Rossmann fold
Homologous superfamily homologous superfamily410 — von Willebrand factor, type A domain
Domain ID domain_id3tcxM00
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id3tcxN00
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology50 — Rossmann fold
Homologous superfamily homologous superfamily410 — von Willebrand factor, type A domain
Domain ID domain_id3tcxO00
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id3tcxP00
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology50 — Rossmann fold
Homologous superfamily homologous superfamily410 — von Willebrand factor, type A domain
Domain ID domain_id3tcxQ00
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id3tcxR00
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology50 — Rossmann fold
Homologous superfamily homologous superfamily410 — von Willebrand factor, type A domain
Domain ID domain_id3tcxS00
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id3tcxT00
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology50 — Rossmann fold
Homologous superfamily homologous superfamily410 — von Willebrand factor, type A domain
Domain ID domain_id3tcxU00
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id3tcxV00
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology50 — Rossmann fold
Homologous superfamily homologous superfamily410 — von Willebrand factor, type A domain
Domain ID domain_id3tcxW00
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id3tcxX00
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology50 — Rossmann fold
Homologous superfamily homologous superfamily410 — von Willebrand factor, type A domain
Domain ID domain_id3tcxY00
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id3tcxZ00
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology50 — Rossmann fold
Homologous superfamily homologous superfamily410 — von Willebrand factor, type A domain
Domain ID domain_id3tcxa00
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id3tcxb00
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology50 — Rossmann fold
Homologous superfamily homologous superfamily410 — von Willebrand factor, type A domain
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8. Citations (1)

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9. Files and Curves (10)