Structure of PDB 2b1x Chain A Binding Site BS01

Receptor Information

>2b1x Chain A (length=441)

MLSNELRQTLQKGLHDVNSDWTVPAAIINDPEVHDVERERIFGHAWVFLA
HESEIPERGDYVVRYISEDQFIVCRDEGGEIRGHLNACRHRGMQVCRAEM
GNTSHFRCPYHGWTYSNTGSLVGVPAGKDAYGNQLKKSDWNLRPMPNLAS
YKGLIFGSLDPHADSLEDYLGDLKFYLDIVLDRSDAGLQVVGAPQRWVID
ANWKLGADNFVGDAYHTMMTHRSMVELGLAPPDPQFALYGEHIHTGHGHG
LGIIGPPPGMPLPEFMGLPENIVEELERRLTPEQVEIFRPTAFIHGTVFP
NLSIGNFLMGKDHLSAPTAFLTLRLWHPLGPDKMEVMSFFLVEKDAPDWF
KDESYKSYLRTFGISGGFEQDDAENWRSITRVMGGQFAKTGELNYQMGRG
VLEPDPNWTGPGEAYPLDYAEANQRNFLEYWMQLMLAESPL

Ligand information

• Ligand ID: FE
• InChI: InChI=1S/Fe/q+3
• InChIKey: VTLYFUHAOXGGBS-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  CACTVS 3.341
  OpenEye OEToolkits 1.5.0: [Fe+3]
• Formula: Fe
• Name: FE (III) ION
• DrugBank: DB13949
• PDB chain: 2b1x Chain A Residue 502

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2b1x Structure and Increased Thermostability of Rhodococcus sp. Naphthalene 1,2-Dioxygenase.
• Resolution: 2.0 Å
• Binding residue (original residue number in PDB): H216 H221 D372
• Binding residue (residue number reindexed from 1): H216 H221 D372
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): H111 D213 H216 H221 D372
• Catalytic site (residue number reindexed from 1): H111 D213 H216 H221 D372
• Enzyme Commision number: 1.14.12.12: naphthalene 1,2-dioxygenase.

Gene Ontology

Molecular Function

• GO:0005506 iron ion binding
• GO:0046872 metal ion binding
• GO:0051213 dioxygenase activity
• GO:0051537 2 iron, 2 sulfur cluster binding

Biological Process

• GO:0009056 catabolic process
• GO:0044237 cellular metabolic process

External links

• PDB: RCSB:2b1x, PDBe:2b1x, PDBj:2b1x
• PDBsum: 2b1x
• PubMed: 16237006
• UniProt: Q9X3R9