Structure of PDB 6esm Chain A

Receptor sequence
>6esmA (length=158) Species: 9606 (Homo sapiens) [Search protein sequence]
GDLKWHHHNITYWIQNYSEDLPRAVIDDAFARAFALWSAVTPLTFTRVYS
RDADIVIQFGVAEHGDGYPFDGKDGLLAHAFPPGPGIQGDAHFDDDELWS
LGKGVGYSLFLVAAHQFGHALGLDHSSVPEALMYPMYRFTEGPPLHKDDV
NGIRHLYG
3D structure
PDB6esm Development of Thioaryl-Based Matrix Metalloproteinase-12 Inhibitors with Alternative Zinc-Binding Groups: Synthesis, Potentiometric, NMR, and Crystallographic Studies.
ChainA
Resolution1.104 Å
3D
structure
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Enzymatic activity
Enzyme Commision number 3.4.24.35: gelatinase B.
Interaction with ligand
Site
#		 Ligand Ligand
chain		 Binding residues on receptor
(original residue number in PDB)		 Binding residues on receptor
(residue number reindexed from 1)		 Binding affinity
BS01 ZN A H226 H230 H236 H115 H119 H125
BS02 ZN A H175 D177 H190 H203 H64 D66 H79 H92
BS03 CA A D182 G183 D185 L187 D205 E208 D71 G72 D74 L76 D94 E97
BS04 CA A D165 G197 Q199 D201 D54 G86 Q88 D90
BS05 CA A D131 D206 E208 D20 D95 E97
BS06 B9Z A G186 L187 A189 H226 Q227 H230 H236 L243 P246 M247 Y248 R249 G75 L76 A78 H115 Q116 H119 H125 L132 P135 M136 Y137 R138 PDBbind-CN: -logKd/Ki=5.53,IC50=2960nM
BindingDB: IC50=2960nM
BS07 PZE A Y179 A191 F192 Y68 A80 F81
Gene Ontology
Molecular Function
GO:0004222 metalloendopeptidase activity
GO:0008237 metallopeptidase activity
GO:0008270 zinc ion binding
Biological Process
GO:0006508 proteolysis
Cellular Component
GO:0031012 extracellular matrix

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Biological Process
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Cellular Component
External links
PDB RCSB:6esm, PDBe:6esm, PDBj:6esm
PDBsum6esm
PubMed29727184
UniProtP14780|MMP9_HUMAN Matrix metalloproteinase-9 (Gene Name=MMP9)

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