Current Protein Identity：P20701
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Difference tags compare only the current result set; every original PDB and assembly record remains separate.
Related-Structure Differences
Each row represents one biological assembly in one PDB entry; multiple monomers of the same protein are listed separately.
| PDB Entry | Assembly / Oligomeric State | Construct | Mutations and Modifications | Ligands, Ions and Non-polymers | Experimental Method | 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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Other combination Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
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 | Assembly 2 Other combination Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
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 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Other combination Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
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 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric（3） Consistent with protein count |
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 | Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric（3） Consistent with protein count |
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 | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric（3） Consistent with protein count |
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 | Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric（3） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric（3） Consistent with protein count |
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 | Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric（3） Consistent with protein count |
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 | Assembly 3 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric（6） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 |
| 3TCX Structure of Engineered Single Domain ICAM-1 D1 with High-Affinity aL Integrin I Domain of Native C-Terminal Helix Conformation Deposited 2011-08-09 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
154–332（179 aa）
Fragment：I DOMAIN, unp residues 154-332
|
Mutation：F265S | 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 |
| 3TCX Structure of Engineered Single Domain ICAM-1 D1 with High-Affinity aL Integrin I Domain of Native C-Terminal Helix Conformation Deposited 2011-08-09 | Assembly 10 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain T
154–332（179 aa）
Fragment：I DOMAIN, unp residues 154-332
|
Mutation：F265S | 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 |
| 3TCX Structure of Engineered Single Domain ICAM-1 D1 with High-Affinity aL Integrin I Domain of Native C-Terminal Helix Conformation Deposited 2011-08-09 | Assembly 11 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain V
154–332（179 aa）
Fragment：I DOMAIN, unp residues 154-332
|
Mutation：F265S | 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 |
| 3TCX Structure of Engineered Single Domain ICAM-1 D1 with High-Affinity aL Integrin I Domain of Native C-Terminal Helix Conformation Deposited 2011-08-09 | Assembly 12 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain X
154–332（179 aa）
Fragment：I DOMAIN, unp residues 154-332
|
Mutation：F265S | 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 |
| 3TCX Structure of Engineered Single Domain ICAM-1 D1 with High-Affinity aL Integrin I Domain of Native C-Terminal Helix Conformation Deposited 2011-08-09 | Assembly 13 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain Z
154–332（179 aa）
Fragment：I DOMAIN, unp residues 154-332
|
Mutation：F265S | 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 |
| 3TCX Structure of Engineered Single Domain ICAM-1 D1 with High-Affinity aL Integrin I Domain of Native C-Terminal Helix Conformation Deposited 2011-08-09 | Assembly 14 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain b
154–332（179 aa）
Fragment：I DOMAIN, unp residues 154-332
|
Mutation：F265S | 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 |
| 3TCX Structure of Engineered Single Domain ICAM-1 D1 with High-Affinity aL Integrin I Domain of Native C-Terminal Helix Conformation Deposited 2011-08-09 | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain D
154–332（179 aa）
Fragment：I DOMAIN, unp residues 154-332
|
Mutation：F265S | 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 |
| 3TCX Structure of Engineered Single Domain ICAM-1 D1 with High-Affinity aL Integrin I Domain of Native C-Terminal Helix Conformation Deposited 2011-08-09 | Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain F
154–332（179 aa）
Fragment：I DOMAIN, unp residues 154-332
|
Mutation：F265S | 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 |
| 3TCX Structure of Engineered Single Domain ICAM-1 D1 with High-Affinity aL Integrin I Domain of Native C-Terminal Helix Conformation Deposited 2011-08-09 | Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain H
154–332（179 aa）
Fragment：I DOMAIN, unp residues 154-332
|
Mutation：F265S | 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 |
| 3TCX Structure of Engineered Single Domain ICAM-1 D1 with High-Affinity aL Integrin I Domain of Native C-Terminal Helix Conformation Deposited 2011-08-09 | Assembly 5 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain J
154–332（179 aa）
Fragment：I DOMAIN, unp residues 154-332
|
Mutation：F265S | 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 |
| 3TCX Structure of Engineered Single Domain ICAM-1 D1 with High-Affinity aL Integrin I Domain of Native C-Terminal Helix Conformation Deposited 2011-08-09 | Assembly 6 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain L
154–332（179 aa）
Fragment：I DOMAIN, unp residues 154-332
|
Mutation：F265S | 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 |
| 3TCX Structure of Engineered Single Domain ICAM-1 D1 with High-Affinity aL Integrin I Domain of Native C-Terminal Helix Conformation Deposited 2011-08-09 | Assembly 7 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain N
154–332（179 aa）
Fragment：I DOMAIN, unp residues 154-332
|
Mutation：F265S | 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 |
| 3TCX Structure of Engineered Single Domain ICAM-1 D1 with High-Affinity aL Integrin I Domain of Native C-Terminal Helix Conformation Deposited 2011-08-09 | Assembly 8 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain P
154–332（179 aa）
Fragment：I DOMAIN, unp residues 154-332
|
Mutation：F265S | 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 |
| 3TCX Structure of Engineered Single Domain ICAM-1 D1 with High-Affinity aL Integrin I Domain of Native C-Terminal Helix Conformation Deposited 2011-08-09 | Assembly 9 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain R
154–332（179 aa）
Fragment：I DOMAIN, unp residues 154-332
|
Mutation：F265S | 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 |
| 4IXD X-ray structure of lfa-1 i-domain in complex with ibe-667 at 1.8a resolution Deposited 2013-01-25 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
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 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
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 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
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 | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
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 | Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
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 | Assembly 4 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric（6） Consistent with protein count |
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 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
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 | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 |