Structure of PDB 1af0 Chain A Binding Site BS09

Receptor Information
>1af0 Chain A (length=470) Species: 615 (Serratia marcescens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ATTGYDAVDDLLHYHERGNGIQINGKDSFSNEQAGLFITRENQTWNGYKV
FGQPVKLTFSFPDYKFSSTNVAGDTGLSKFSAEQQQQAKLSLQSWADVAN
ITFTEVAAGQKANITFGNYSQDRPGHYDYGTQAYAFLPNTIWQGQDLGGQ
TWYNVNQSNVKHPATEDYGRQTFTHEIGHALGLSHPGDYNAGEGDPTYND
VTYAEDTRQFSLMSYWSETNTGGDNGGHYAAAPLLDDIAAIQHLYGANLS
TRTGDTVYGFNSNTGRDFLSTTSNSQKVIFAAWDAGGNDTFDFSGYTANQ
RINLNEKSFSDVGGLKGNVSIAAGVTIENAIGGSGNDVIVGNAANNVLKG
GAGNDVLFGGGGADELWGGAGKDIFVFSAASDSAPGASDWIRDFQKGIDK
IDLSFFDKEANSSSFIHFVDHFSGTAGEALLSYNASSNVTDLSVNIGGHQ
APDFLVKIVGQVDVATDFIV
Ligand information
Ligand ID0Z9
InChIInChI=1S/C17H25N3O5/c1-11(2)9-14(16(22)18-12(3)15(21)20-24)19-17(23)25-10-13-7-5-4-6-8-13/h4-8,11-12,14,24H,9-10H2,1-3H3,(H,18,22)(H,19,23)(H,20,21)/t12-,14-/m0/s1
InChIKeyGFVPLCZPHFWQIY-JSGCOSHPSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C)C[C@@H](C(=O)N[C@@H](C)C(=O)NO)NC(=O)OCc1ccccc1
ACDLabs 10.04O=C(NO)C(NC(=O)C(NC(=O)OCc1ccccc1)CC(C)C)C
CACTVS 3.341CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NO
OpenEye OEToolkits 1.5.0CC(C)CC(C(=O)NC(C)C(=O)NO)NC(=O)OCc1ccccc1
CACTVS 3.341CC(C)C[CH](NC(=O)OCc1ccccc1)C(=O)N[CH](C)C(=O)NO
FormulaC17 H25 N3 O5
NameN-[(benzyloxy)carbonyl]-L-leucyl-N-hydroxy-L-alaninamide
ChEMBL
DrugBank
ZINCZINC000098207902
PDB chain1af0 Chain A Residue 674 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1af0 Kinetic characterization of the serralysins: a divergent catalytic mechanism pertaining to astacin-type metalloproteases.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		A134 Y135 A136 H176 E177 H180 H186 N191 A192 Y216
Binding residue
(residue number reindexed from 1)		A133 Y134 A135 H175 E176 H179 H185 N190 A191 Y215
Annotation score1
Enzymatic activity
Enzyme Commision number 3.4.24.40: serralysin.
Gene Ontology
Molecular Function
GO:0004222 metalloendopeptidase activity
GO:0005509 calcium ion binding
GO:0008237 metallopeptidase activity
GO:0008270 zinc ion binding
GO:0046872 metal ion binding
GO:0090729 toxin activity
Biological Process
GO:0001907 symbiont-mediated killing of host cell
GO:0006508 proteolysis
GO:0035821 modulation of process of another organism
Cellular Component
GO:0005576 extracellular region
GO:0005615 extracellular space
GO:0031012 extracellular matrix

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1af0, PDBe:1af0, PDBj:1af0
PDBsum1af0
PubMed
UniProtP23694|PRZN_SERMA Serralysin

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