Structure of PDB 3lum Chain D Binding Site BS04

Receptor Information
>3lum Chain D (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 IDARG
InChIInChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p+1/t4-/m0/s1
InChIKeyODKSFYDXXFIFQN-BYPYZUCNSA-O
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(CC(C(=O)O)N)CNC(=[NH2+])N
CACTVS 3.341N[C@@H](CCCNC(N)=[NH2+])C(O)=O
OpenEye OEToolkits 1.5.0C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N
CACTVS 3.341N[CH](CCCNC(N)=[NH2+])C(O)=O
ACDLabs 10.04O=C(O)C(N)CCCN\C(=[NH2+])N
FormulaC6 H15 N4 O2
NameARGININE
ChEMBL
DrugBank
ZINC
PDB chain3lum Chain D Residue 501 [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)		I187 L188 G189 F220 T225 E229 V293 D295
Binding residue
(residue number reindexed from 1)		I127 L128 G129 F160 T165 E169 V233 D235
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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