当前蛋白身份：P22894
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差异标签只比较当前检索结果；所有PDB和assembly原始记录仍分别保留。
相关结构差异明细
一行代表一个 PDB 条目中的一个 biological assembly；同一蛋白的多个单体会分别列出。
| PDB 条目 | Assembly / 聚集状态 | 构建体 | 突变与修饰 | 配体、离子与非聚合物 | 实验方法 | 实验环境 | 结构质量 |
|---|---|---|---|---|---|---|---|
| 1A85 MMP8 WITH MALONIC AND ASPARAGINE BASED INHIBITOR 提交 1998-04-03 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
105–262（158 aa）
|
未记录 | CA CALCIUM ION × 2 ZN ZINC ION × 2 0DY N~1~-(3-aminobenzyl)-N~2~-[(2R)-2-(hydroxycarbamoyl)-4-methylpentanoyl]-L-aspartamide × 1 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 2.00 Å |
| 1A86 MMP8 WITH MALONIC AND ASPARTIC ACID BASED INHIBITOR 提交 1998-04-03 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
105–262（158 aa）
|
未记录 | 0ZB N-benzyl-N~2~-[(2R)-2-(hydroxycarbamoyl)-4-methylpentanoyl]-L-alpha-asparagine × 1 CA CALCIUM ION × 2 ZN ZINC ION × 2 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 2.00 Å |
| 1BZS CRYSTAL STRUCTURE OF MMP8 COMPLEXED WITH HMR2909 提交 1998-11-04 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
99–263（165 aa）
片段：CATALYTIC DOMAIN
|
未记录 | CA CALCIUM ION × 2 ZN ZINC ION × 2 BSI 2-(BIPHENYL-4-SULFONYL)-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID × 1 EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6；298 K；PROTEIN SOLUTION: 10 MG/ML MMP8 IN 25 MM MES,
100 MM NACL, 20 MM CACL2, 0.1 MM ZNCL2, PH 6.0, WITH THREEFOLD EXCESS
INHIBITOR IN DMF ADDED. RESERVOIR SOLUTION: 10-25% (W/W) PEG6000. CRYSTALS
APPEAR IN ABOUT 1 WEEK., VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
分辨率 1.70 Å |
| 1I73 COMPLEX OF PRO-LEU-L-TRP PHOSPHONATE WITH THE CATALITIC DOMAIN OF MATRIX METALLO PROTEINASE-8 (MET80 FORM) 提交 2001-03-07 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
100–262（163 aa）
片段：RESIDUES 80-242
|
未记录 | CA CALCIUM ION × 2 ZN ZINC ION × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6；291 K；PEG 6000, MES-NaOH, NaCl, CaCl2, ZnCl2, pH 6.00, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
分辨率 1.40 Å R-free 0.194 |
| 1I76 COMPLEX OF 2-(BIPHENYL-4-SULFONYL)-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID (D-TIC DERIVATIVE) WITH T CATALITIC DOMAIN OF MATRIX METALLO PROTEINASE-8 (MET80 FORM) 提交 2001-03-08 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
100–262（163 aa）
片段：RESIDUES 80-242
|
未记录 | CA CALCIUM ION × 2 ZN ZINC ION × 2 BSI 2-(BIPHENYL-4-SULFONYL)-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6；291 K；PEG 6000, MES-NAOH, NaCl, CaCl2, ZnCl2, pH 6.00, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
分辨率 1.20 Å R-free 0.171 |
| 1JAN COMPLEX OF PRO-LEU-GLY-HYDROXYLAMINE WITH THE CATALYTIC DOMAIN OF MATRIX METALLO PROTEINASE-8 (PHE79 FORM) 提交 1996-03-11 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
99–262（164 aa）
片段：CATALYTIC DOMAIN, RESIDUES 79 - 242
|
未记录 | CA CALCIUM ION × 2 ZN ZINC ION × 2 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 2.50 Å |
| 1JAO COMPLEX OF 3-MERCAPTO-2-BENZYLPROPANOYL-ALA-GLY-NH2 WITH THE CATALYTIC DOMAIN OF MATRIX METALLO PROTEINASE-8 (MET80 FORM) 提交 1996-03-11 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
100–262（163 aa）
片段：CATALYTIC DOMAIN, RESIDUES 80 - 242
|
未记录 | 0D3 N-[(2S)-2-benzyl-3-sulfanylpropanoyl]-L-alanylglycinamide × 1 CA CALCIUM ION × 2 ZN ZINC ION × 2 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 2.40 Å |
| 1JAP COMPLEX OF PRO-LEU-GLY-HYDROXYLAMINE WITH THE CATALYTIC DOMAIN OF MATRIX METALLO PROTEINASE-8 (MET80 FORM) 提交 1996-03-11 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
100–262（163 aa）
片段：CATALYTIC DOMAIN, RESIDUES 86 - 242
|
未记录 | CA CALCIUM ION × 2 ZN ZINC ION × 2 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 1.82 Å |
| 1JAQ COMPLEX OF 1-HYDROXYLAMINE-2-ISOBUTYLMALONYL-ALA-GLY-NH2 WITH THE CATALYTIC DOMAIN OF MATRIX METALLO PROTEINASE-8 (MET80 FORM) 提交 1996-03-11 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
100–262（163 aa）
片段：CATALYTIC DOMAIN, RESIDUES 80 - 242
|
未记录 | CA CALCIUM ION × 2 01S N-[(2R)-2-(hydroxycarbamoyl)-4-methylpentanoyl]-L-alanylglycinamide × 1 ZN ZINC ION × 2 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 2.40 Å |
| 1JH1 Crystal Structure of MMP-8 complexed with a 6H-1,3,4-thiadiazine derived inhibitor 提交 2001-06-27 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
105–262（158 aa）
片段：MMP-8 catalytic domain
|
未记录 | CA CALCIUM ION × 2 ZN ZINC ION × 2 JST BUT-3-ENYL-[5-(4-CHLORO-PHENYL)-3,6-DIHYDRO-[1,3,4]THIADIAZIN-2-YLIDENE]-AMINE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 6；291 K；0.1M MES, 10% PEG6K, 10mM CaCl2, 100mM NaCl, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 291K
|
分辨率 2.70 Å R-free 0.264 |
| 1JJ9 Crystal Structure of MMP8-Barbiturate Complex Reveals Mechanism for Collagen Substrate Recognition 提交 2001-07-04 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
100–262（163 aa）
片段：catalytic domain
|
未记录 | CA CALCIUM ION × 2 ZN ZINC ION × 2 BBT 2-HYDROXY-5-[4-(2-HYDROXY-ETHYL)-PIPERIDIN-1-YL]-5-PHENYL-1H-PYRIMIDINE-4,6-DIONE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；pH 6；291 K；PEG6000, 10mM CaCl2, 100mM NaCl, Cacodylate pH6.0, VAPOR DIFFUSION, temperature 291K
|
分辨率 2.00 Å R-free 0.296 |
| 1KBC PROCARBOXYPEPTIDASE TERNARY COMPLEX 提交 1997-04-29 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
99–262（164 aa）
片段：CATALYTIC DOMAIN
|
未记录 | CA CALCIUM ION × 2 ZN ZINC ION × 2 HLE 3-FORMYL-2-HYDROXY-5-METHYL-HEXANOIC ACID HYDROXYAMIDE × 1 RIN 3-AMINO-AZACYCLOTRIDECAN-2-ONE × 1 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 1.80 Å |
| 1KBC PROCARBOXYPEPTIDASE TERNARY COMPLEX 提交 1997-04-29 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
99–262（164 aa）
片段：CATALYTIC DOMAIN
|
未记录 | CA CALCIUM ION × 2 ZN ZINC ION × 2 HLE 3-FORMYL-2-HYDROXY-5-METHYL-HEXANOIC ACID HYDROXYAMIDE × 1 RIN 3-AMINO-AZACYCLOTRIDECAN-2-ONE × 1 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 1.80 Å |
| 1MMB COMPLEX OF BB94 WITH THE CATALYTIC DOMAIN OF MATRIX METALLOPROTEINASE-8 提交 1995-08-23 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
100–262（163 aa）
片段：CATALYTIC DOMAIN
|
未记录 | CA CALCIUM ION × 2 ZN ZINC ION × 2 BAT 4-(N-HYDROXYAMINO)-2R-ISOBUTYL-2S-(2-THIENYLTHIOMETHYL)SUCCINYL-L-PHENYLALANINE-N-METHYLAMIDE × 1 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 2.10 Å |
| 1MNC STRUCTURE OF HUMAN NEUTROPHIL COLLAGENASE REVEALS LARGE S1' SPECIFICITY POCKET 提交 1994-01-12 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
101–263（163 aa）
|
未记录 | ZN ZINC ION × 2 CA CALCIUM ION × 1 PLH METHYLAMINO-PHENYLALANYL-LEUCYL-HYDROXAMIC ACID × 1 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 2.10 Å |
| 1ZP5 Crystal structure of the complex between MMP-8 and a N-hydroxyurea inhibitor 提交 2005-05-16 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
100–262（163 aa）
片段：Catalytic domain (80-242)
|
未记录 | CA CALCIUM ION × 2 ZN ZINC ION × 2 2NI N-{2-[(4'-CYANO-1,1'-BIPHENYL-4-YL)OXY]ETHYL}-N'-HYDROXY-N-METHYLUREA × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；PEG6000, MES/NAOH, Na Phosphate, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 1.80 Å R-free 0.251 |
| 1ZS0 Crystal structure of the complex between MMP-8 and a phosphonate inhibitor (S-enantiomer) 提交 2005-05-23 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
100–262（163 aa）
片段：Catalytic domain of neutrophil collagenase (Residues:80-242)
|
未记录 | CA CALCIUM ION × 2 ZN ZINC ION × 2 EIN (1S)-1-{[(4'-METHOXY-1,1'-BIPHENYL-4-YL)SULFONYL]AMINO}-2-METHYLPROPYLPHOSPHONIC ACID × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；PEG6000, MES/NaOH, NaCl, CaCl2, ZnCl2, Na Phosphate, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K
|
分辨率 1.56 Å R-free 0.235 |
| 1ZVX Crystal structure of the complex between MMP-8 and a phosphonate inhibitor (R-enantiomer) 提交 2005-06-03 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
100–262（163 aa）
片段：catalytic domain of neutrophil collagenase (Residues:80-242)
|
未记录 | CA CALCIUM ION × 2 ZN ZINC ION × 2 FIN (1R)-1-{[(4'-METHOXY-1,1'-BIPHENYL-4-YL)SULFONYL]AMINO}-2-METHYLPROPYLPHOSPHONIC ACID × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6；291 K；PEG6000, MES/NaOH, NaCl, CaCl2, ZnCl2, NaPhosphate, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 291.0K
|
分辨率 1.87 Å R-free 0.244 |
| 2OY2 Human MMP-8 in complex with peptide IAG 提交 2007-02-21 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
105–262（158 aa）
片段：CATALYTIC DOMAIN
|
未记录 | CA CALCIUM ION × 2 ZN ZINC ION × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 8；298 K；0.1M Tris-HCl, 20% PEG3350, 200mM acetohydroxamic acid, 0.2M MgCl2, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
分辨率 1.50 Å R-free 0.192 |
| 2OY2 Human MMP-8 in complex with peptide IAG 提交 2007-02-21 | Assembly 2 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 F
105–262（158 aa）
片段：CATALYTIC DOMAIN
|
未记录 | CA CALCIUM ION × 2 ZN ZINC ION × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 8；298 K；0.1M Tris-HCl, 20% PEG3350, 200mM acetohydroxamic acid, 0.2M MgCl2, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
分辨率 1.50 Å R-free 0.192 |
| 2OY4 Uninhibited human MMP-8 提交 2007-02-21 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
105–262（158 aa）
片段：CATALYTIC DOMAIN
|
未记录 | CA CALCIUM ION × 2 ZN ZINC ION × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 8；298 K；0.1M Tris-HCl, 20% PEG3350, 200mM acetohydroxamic acid, 0.2M MgCl2, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
分辨率 1.70 Å R-free 0.293 |
| 2OY4 Uninhibited human MMP-8 提交 2007-02-21 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 F
105–262（158 aa）
片段：CATALYTIC DOMAIN
|
未记录 | CA CALCIUM ION × 2 ZN ZINC ION × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 8；298 K；0.1M Tris-HCl, 20% PEG3350, 200mM acetohydroxamic acid, 0.2M MgCl2, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
分辨率 1.70 Å R-free 0.293 |
| 3DNG Crystal structure of the complex between MMP-8 and a non-zinc chelating inhibitor 提交 2008-07-02 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
100–262（163 aa）
片段：MMP-8 catalytic domain, UNP residues 100-262
|
未记录 | CA CALCIUM ION × 2 ZN ZINC ION × 2 AXA (5S)-5-(2-amino-2-oxoethyl)-4-oxo-N-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)methyl]-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidine-2-carboxamide × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；Hanging droplets were made by mixing 1.5-3.0ml of protein/inhibitor solution with 5ml of PEG solution (10% PEG6000, 0.2M Mes-NaOH, 0.02% NaN3, pH6.0). Droplets were concentrated against a reservoir buffer containing 1.0-2.0M sodium phosphate, 0.02% NaN3, pH6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 2.00 Å R-free 0.280 |
| 3DNG Crystal structure of the complex between MMP-8 and a non-zinc chelating inhibitor 提交 2008-07-02 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
100–262（163 aa）
片段：MMP-8 catalytic domain, UNP residues 100-262
|
未记录 | CA CALCIUM ION × 2 ZN ZINC ION × 2 AXA (5S)-5-(2-amino-2-oxoethyl)-4-oxo-N-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)methyl]-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidine-2-carboxamide × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；Hanging droplets were made by mixing 1.5-3.0ml of protein/inhibitor solution with 5ml of PEG solution (10% PEG6000, 0.2M Mes-NaOH, 0.02% NaN3, pH6.0). Droplets were concentrated against a reservoir buffer containing 1.0-2.0M sodium phosphate, 0.02% NaN3, pH6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 2.00 Å R-free 0.280 |
| 3DPE Crystal structure of the complex between MMP-8 and a non-zinc chelating inhibitor 提交 2008-07-08 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
100–262（163 aa）
片段：MMP-8 catalytic domain, UNP residues 100-262
|
未记录 | CA CALCIUM ION × 2 ZN ZINC ION × 2 AXB N-{[2-(2-amino-3,4-dioxocyclobut-1-en-1-yl)-1,2,3,4-tetrahydroisoquinolin-7-yl]methyl}-4-oxo-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2-carboxamide 7,7-dioxide × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；Hanging droplets were made by mixing 1.5-3.0ml of protein/inhibitor solution with 5ml of PEG solution (10% PEG6000, 0.2M Mes-NaOH, 0.02% NaN3, pH6.0). Droplets were concentrated against a reservoir buffer containing 1.0-2.0M sodium phosphate, 0.02% NaN3, pH6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 1.60 Å R-free 0.242 |
| 3DPF Crystal structure of the complex between MMP-8 and a non-zinc chelating inhibitor 提交 2008-07-08 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
100–262（163 aa）
片段：MMP-8 catalytic domain, UNP residues 100-262
|
未记录 | CA CALCIUM ION × 2 ZN ZINC ION × 2 AXB N-{[2-(2-amino-3,4-dioxocyclobut-1-en-1-yl)-1,2,3,4-tetrahydroisoquinolin-7-yl]methyl}-4-oxo-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2-carboxamide 7,7-dioxide × 1 HAE ACETOHYDROXAMIC ACID × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；Hanging droplets were made by mixing 1.5-3.0ml of protein/inhibitor solution with 5ml of PEG solution (10% PEG6000, 0.2M Mes-NaOH, 0.02% NaN3, pH6.0). Droplets were concentrated against a reservoir buffer containing 1.0-2.0M sodium phosphate, 0.02% NaN3, pH6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 2.10 Å R-free 0.270 |
| 3DPF Crystal structure of the complex between MMP-8 and a non-zinc chelating inhibitor 提交 2008-07-08 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
100–262（163 aa）
片段：MMP-8 catalytic domain, UNP residues 100-262
|
未记录 | CA CALCIUM ION × 2 ZN ZINC ION × 2 AXB N-{[2-(2-amino-3,4-dioxocyclobut-1-en-1-yl)-1,2,3,4-tetrahydroisoquinolin-7-yl]methyl}-4-oxo-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2-carboxamide 7,7-dioxide × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；Hanging droplets were made by mixing 1.5-3.0ml of protein/inhibitor solution with 5ml of PEG solution (10% PEG6000, 0.2M Mes-NaOH, 0.02% NaN3, pH6.0). Droplets were concentrated against a reservoir buffer containing 1.0-2.0M sodium phosphate, 0.02% NaN3, pH6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 2.10 Å R-free 0.270 |
| 3TT4 Human MMP8 in complex with L-glutamate motif inhibitor 提交 2011-09-14 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
104–262（159 aa）
片段：MMP8 catalytic domain (UNP residues 104-262)
|
未记录 | ZN ZINC ION × 2 CA CALCIUM ION × 2 E1S N~2~-{3-[4-(5-methylthiophen-2-yl)phenyl]propanoyl}-L-alpha-glutamine × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 5.5；293 K；MMP-8 at 400 micro-M co-crystallization with peptidic inhibitor with reservoir solution 17.5% PEG 20K, 0.1 M MES, 0.125 M NACL. VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 293K. Inhibitor exchange: 24hr soak in 25% PEG 4K instead of 17.5% PEG20K with 100 micro-M E1S inhibitor in 6 micro-L volume cryoprotectant is 12% PEG10K, 13.75% MPEG2K, 5% di-ethylene glycol, 10% 1,2-propanediol, 10% glycerol, 0.025 M MES PH 5.5, 30 sec cryoprotectant soak
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分辨率 1.88 Å R-free 0.258 |
| 4QKZ X-ray structure of the catalytic domain of MMP-8 with the inhibitor ML115 提交 2014-06-10 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
100–262（163 aa）
片段：catalytic domain, UNP residues 100-262
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未记录 | CA CALCIUM ION × 2 ZN ZINC ION × 2 QZK {[(biphenyl-4-ylsulfonyl)amino]methanediyl}bis(phosphonic acid) × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；10 % PEG 6000, 0.2M MES/NAOH, 1M NA PHOSPHATE, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
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分辨率 1.20 Å R-free 0.194 |
| 5H8X Crystal structure of the complex MMP-8/BF471 (catechol inhibitor) 提交 2015-12-24 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
100–262（163 aa）
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未记录 | CA CALCIUM ION × 2 ZN ZINC ION × 2 5XT ~{N}-[3,4-bis(oxidanyl)phenyl]-4-phenyl-benzenesulfonamide × 1 7FY ~{N}-[4,5-bis(oxidanylidene)cyclohexen-1-yl]-4-phenyl-benzenesulfonamide × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；10 % PEG 6000, 0.2M MES/NAOH, 1M NA
REMARK 280 PHOSPHATE, PH 6.0
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分辨率 1.30 Å R-free 0.217 |