Structure of PDB 2wop Chain A Binding Site BS01

Receptor Information
>2wop Chain A (length=554) Species: 1901 (Streptomyces clavuligerus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RPAPTTAGAGWDAGVGALVNPSRRRGGTLRLVSSADVDSLDPARTYYVWV
WLLQRLLNRTLMAYPTDPGPAGLVPAPDLAEGPGEVSDGGRTWTYRLRRG
LRYDDGTPITSDDVRHAVQRVFAQDVLPGGPTYLIPLLDDPERPYPGPYR
TDEPLRSVLTPDEHTIVFRLTRPFSDFDHLMAQPCAAPVPRRSDTGADYG
RDPRSSGPYRVARHEPDTLLHLERNPHWDRATDPIRPALPDRVELTIGLD
VDVLDARLIAGEFDINLEGRGLQHAAQRRATADEVLRSHTDNPRTSFLHF
VAMQPHIPPFDNVHVRRAVQYAADKILLQDARGGPVNGGDLTTALFPPTL
PAHQDLDLYPTGPDLRGDLDAARAELAAAGLPDGFRAVIGTQRGKFRLVA
DAVVESLARVGIELTVKELDVATYFSLGAGHPETVREHGLGLLVTDWGAD
FPTEYGFLAPLVDGRQIKRNGGNWNLPELDDPEVNALIDETLHTTDPAAR
AELWRAVERRVMEHAVLLPLVHDKTLHFRNPWVTNVYVHPAFGLYDIQAM
GLAE
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 chain2wop Chain A Residue 563 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2wop Crystal Structures of an Oligopeptide-Binding Protein from the Biosynthetic Pathway of the Beta-Lactamase Inhibitor Clavulanic Acid.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		Y52 V54 W57 W453 G454 D456 W480
Binding residue
(residue number reindexed from 1)		Y46 V48 W51 W447 G448 D450 W474
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:1904680 peptide transmembrane transporter activity
Biological Process
GO:0015833 peptide transport
GO:0033050 clavulanic acid biosynthetic process
GO:0055085 transmembrane transport
Cellular Component
GO:0030288 outer membrane-bounded periplasmic space
GO:0042597 periplasmic space
GO:0043190 ATP-binding cassette (ABC) transporter complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2wop, PDBe:2wop, PDBj:2wop
PDBsum2wop
PubMed19941870
UniProtQ8KRB4

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