Structure of PDB 3lun Chain B Binding Site BS05

Receptor Information
>3lun Chain B (length=259) Species: 2214 (Methanosarcina acetivorans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EIVKIPVVVHVVWNEEEENISDAQIQSQIDILNKDFRKLNSDVSQVPSVW
SNLIADLGIEFFLATKDPNGNQTTGITRTQTSVTFFTTSDEVKFASSGGE
DAWPADRYLNIWVCHVLKSEIGQDILGYAQFPGGPAETDGVVIVDAAFGT
TGTALPPFDKGRTATHEIGHWLNLYHIWGDELRFEDPCSRSDEVDDTPNQ
ADPNFGCPSYPHVSCSNGPNGDMFMNYCDYVDDKCMVMFTQGQATRVNAC
LDGPRSSFL
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 chain3lun Chain B 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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PDB3lun On the relevance of the Met-turn methionine in metzincins.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		I187 L188 G189 F220 T225 H228 E229 Y292 V293 D294 D295
Binding residue
(residue number reindexed from 1)		I125 L126 G127 F158 T163 H166 E167 Y230 V231 D232 D233
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:3lun, PDBe:3lun, PDBj:3lun
PDBsum3lun
PubMed20202937
UniProtQ8TL28|ULIL_METAC Ulilysin (Gene Name=MA_3214)

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