Structure of PDB 1k6s Chain B Binding Site BS02

Receptor Information
>1k6s Chain B (length=245) Species: 287 (Pseudomonas aeruginosa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSITENTSWNKEFSAEAVNGVFVLCKSSSKSCATNDLARASKEYLPASTF
KIPNAIIGLETGVIKNEHQVFKWDGKPRAMKQWERDLTLRGAIQVSAVPV
FQQIAREVGEVRMQKYLKKFSYGNQNISGGIDKFWLEGQLRISAVNQVEF
LESLYLNKLSASKENQLIVKEALVTEAAPEYLVHSKTGFSGVGTESNPGV
AWWVGWVEKETEVYFFAFNMDIDNESKLPLRKSIPTKIMESEGII
Ligand information
Ligand IDIAP
InChIInChI=1S/C8H9BINO3/c10-5-8(12)11-7-3-1-2-6(4-7)9(13)14/h1-4,13-14H,5H2,(H,11,12)
InChIKeyLMHXPDZPXBIIEX-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0B(c1cccc(c1)NC(=O)CI)(O)O
ACDLabs 10.04ICC(=O)Nc1cc(B(O)O)ccc1
CACTVS 3.341OB(O)c1cccc(NC(=O)CI)c1
FormulaC8 H9 B I N O3
Name4-IODO-ACETAMIDO PHENYLBORONIC ACID
ChEMBL
DrugBankDB02122
ZINC
PDB chain1k6s Chain B Residue 300 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1k6s CRYSTAL STRUCTURE OF CLASS D BETA-LACTAMASE OXA-10 IN COMPLEX WITH DIFFERENT SUBSTRATES AND ONE INHIBITOR.
Resolution2.03 Å
Binding residue
(original residue number in PDB)		S67 K70 M99 W102 V117 G207 F208
Binding residue
(residue number reindexed from 1)		S48 K51 M80 W83 V98 G188 F189
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) S67 K70 S115 F120 W154 F208
Catalytic site (residue number reindexed from 1) S48 K51 S96 F101 W135 F189
Enzyme Commision number 3.5.2.6: beta-lactamase.
Gene Ontology
Molecular Function
GO:0008658 penicillin binding
GO:0008800 beta-lactamase activity
Biological Process
GO:0017001 antibiotic catabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:1k6s, PDBe:1k6s, PDBj:1k6s
PDBsum1k6s
PubMed
UniProtP14489|BLO10_PSEAI Beta-lactamase OXA-10 (Gene Name=bla)

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