Structure of PDB 2inp Chain B Binding Site BS03

Receptor Information

>2inp Chain B (length=493) Species: 316 (Stutzerimonas stutzeri)

KKLNLKDKYQYLTRDMAWEPTYQDKKDIFPEEDFEGIKITDWSQWEDPFR
LTMDAYWKYQAEKEKKLYAIFDAFAQNNGHQNISDARYVNALKLFISGIS
PLEHAAFQGYSKVGRQFSGAGARVACQMQAIDELRHSQTQQHAMSHYNKH
FNGLHDGPHMHDRVWYLSVPKSFFDDARSAGPFEFLTAISFSFEYVLTNL
LFVPFMSGAAYNGDMATVTFGFSAQSDEARHMTLGLEVIKFILEQHEDNV
PIVQRWIDKWFWRGFRLLSLVSMMMDYMLPNKVMSWSEAWEVYYEQNGGA
LFKDLERYGIRPPKYQDVANDAKHHLSHQLWTTFYQYCQATNFHTWIPEK
EEMDWMSEKYPDTFDKYYRPRYEYLAKEAAAGRRFYNNTLPQLCQVCQIP
TIFTEKDAPTMLSHRQIEHEGERYHFCSDGCCDIFKHEPEKYIQAWLPVH
QIYQGNCEGGDLETVVQKYYHINIGEDNFDYVGSPDQKHWLSI

Ligand information

• Ligand ID: ZN
• InChI: InChI=1S/Zn/q+2
• InChIKey: PTFCDOFLOPIGGS-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Zn++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Zn+2]
• Formula: Zn
• Name: ZINC ION
• ChEMBL: CHEMBL1236970
• DrugBank: DB14532
• PDB chain: 2inp Chain B Residue 500

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2inp X-ray Structure of a Hydroxylase-Regulatory Protein Complex from a Hydrocarbon-Oxidizing Multicomponent Monooxygenase, Pseudomonas sp. OX1 Phenol Hydroxylase.
• Resolution: 2.3 Å
• Binding residue (original residue number in PDB): C399 C402 C436
• Binding residue (residue number reindexed from 1): C394 C397 C431
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): E108 E138 H141 E199 E233 H236
• Catalytic site (residue number reindexed from 1): E103 E133 H136 E194 E228 H231

Gene Ontology

Molecular Function

• GO:0016491 oxidoreductase activity
• GO:0046872 metal ion binding

External links

• PDB: RCSB:2inp, PDBe:2inp, PDBj:2inp
• PDBsum: 2inp
• PubMed: 17176061
• UniProt: Q84AQ2