Structure of PDB 3lum Chain B Binding Site BS05

Receptor Information
>3lum Chain B (length=262) Species: 2214 (Methanosarcina acetivorans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RMEIVKIPVVVHVVWNEEEENISDAQIQSQIDILNKDFRKLNSDVSQVPS
VWSNLIADLGIEFFLATKDPNGNQTTGITRTQTSVTFFTTSDEVKFASSG
GEDAWPADRYLNIWVCHVLKSEIGQDILGYAQFPGGPAETDGVVIVDAAF
GTTGTALPPFDKGRTATHEIGHWLNLYHIWGDELRFEDPCSRSDEVDDTP
NQADPNFGCPSYPHVSCSNGPNGDMFMNYLDYVDDKCMVMFTQGQATRVN
ACLDGPRSSFLA
Ligand information
Ligand IDVAL
InChIInChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1
InChIKeyKZSNJWFQEVHDMF-BYPYZUCNSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)C(N)C(C)C
OpenEye OEToolkits 1.5.0CC(C)C(C(=O)O)N
OpenEye OEToolkits 1.5.0CC(C)[C@@H](C(=O)O)N
CACTVS 3.341CC(C)[C@H](N)C(O)=O
CACTVS 3.341CC(C)[CH](N)C(O)=O
FormulaC5 H11 N O2
NameVALINE
ChEMBLCHEMBL43068
DrugBankDB00161
ZINCZINC000000895099
PDB chain3lum Chain B Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB3lum On the relevance of the Met-turn methionine in metzincins.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		F267 Y292
Binding residue
(residue number reindexed from 1)		F207 Y232
Annotation score4
Enzymatic activity
Enzyme Commision number 3.4.24.-
Gene Ontology
Molecular Function
GO:0008237 metallopeptidase activity

View graph for
Molecular Function
External links
PDB RCSB:3lum, PDBe:3lum, PDBj:3lum
PDBsum3lum
PubMed20202937
UniProtQ8TL28|ULIL_METAC Ulilysin (Gene Name=MA_3214)

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