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Structure of PDB 1mnc Chain A Binding Site BS04

Receptor Information >1mnc Chain A (length=158) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] GPKWERTNLTYRIRNYTPQLSEAEVERAIKDAFELWSVASPLIFTGISQG EADINIAFYQRDHGDGSPFDGPNGILAHAFQPGQGIGGDAHFDAEETWTN TSANYNLFLVAAHEFGHSLGLAHSSDPGALMYPNYAFRETSNYSLPQDDI DGIQAIYG

Ligand information Ligand ID PLH InChI InChI=1S/C18H27N3O4/c1-12(2)9-14(11-16(22)21-25)17(23)20-15(18(24)19-3)10-13-7-5-4-6-8-13/h4-8,12,14-15,25H,9-11H2,1-3H3,(H,19,24)(H,20,23)(H,21,22)/t14-,15+/m1/s1 InChIKey MOPRTFSMCQNUCT-CABCVRRESA-N SMILES Software SMILES OpenEye OEToolkits 1.5.0 CC(C)CC(CC(=O)NO)C(=O)NC(Cc1ccccc1)C(=O)NC CACTVS 3.341 CNC(=O)[CH](Cc1ccccc1)NC(=O)[CH](CC(C)C)CC(=O)NO ACDLabs 10.04 O=C(NO)CC(C(=O)NC(C(=O)NC)Cc1ccccc1)CC(C)C CACTVS 3.341 CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)CC(=O)NO OpenEye OEToolkits 1.5.0 CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC Formula C18 H27 N3 O4 Name METHYLAMINO-PHENYLALANYL-LEUCYL-HYDROXAMIC ACID ChEMBL CHEMBL11306 DrugBank DB08403 ZINC PDB chain 1mnc Chain A Residue 280 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure Global view Local view Structure summary [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] PDB 1mnc Structure of human neutrophil collagenase reveals large S1' specificity pocket. Resolution 2.1 Å Binding residue (original residue number in PDB) G179 I180 L181 A182 H218 E219 H222 H228 P238 N239 Y240 Binding residue (residue number reindexed from 1) G74 I75 L76 A77 H113 E114 H117 H123 P133 N134 Y135 Annotation score 1 Binding affinity PDBbind-CN: -logKd/Ki=10.34,IC50=0.046nM

Enzymatic activity Catalytic site (original residue number in PDB) H218 E219 H222 H228 Catalytic site (residue number reindexed from 1) H113 E114 H117 H123 Enzyme Commision number 3.4.24.34: neutrophil collagenase.

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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