Structure of PDB 2b1x Chain C Binding Site BS02

Receptor Information
>2b1x Chain C (length=441) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MLSNELRQTLQKGLHDVNSDWTVPAAIINDPEVHDVERERIFGHAWVFLA
HESEIPERGDYVVRYISEDQFIVCRDEGGEIRGHLNACRHRGMQVCRAEM
GNTSHFRCPYHGWTYSNTGSLVGVPAGKDAYGNQLKKSDWNLRPMPNLAS
YKGLIFGSLDPHADSLEDYLGDLKFYLDIVLDRSDAGLQVVGAPQRWVID
ANWKLGADNFVGDAYHTMMTHRSMVELGLAPPDPQFALYGEHIHTGHGHG
LGIIGPPPGMPLPEFMGLPENIVEELERRLTPEQVEIFRPTAFIHGTVFP
NLSIGNFLMGKDHLSAPTAFLTLRLWHPLGPDKMEVMSFFLVEKDAPDWF
KDESYKSYLRTFGISGGFEQDDAENWRSITRVMGGQFAKTGELNYQMGRG
VLEPDPNWTGPGEAYPLDYAEANQRNFLEYWMQLMLAESPL
Ligand information
Ligand IDFES
InChIInChI=1S/2Fe.2S
InChIKeyNIXDOXVAJZFRNF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04[Fe]1S[Fe]S1
CACTVS 3.341
OpenEye OEToolkits 1.5.0		S1[Fe]S[Fe]1
FormulaFe2 S2
NameFE2/S2 (INORGANIC) CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain2b1x Chain C 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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PDB2b1x Structure and Increased Thermostability of Rhodococcus sp. Naphthalene 1,2-Dioxygenase.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		C88 H90 R91 C108 Y110 H111 W113
Binding residue
(residue number reindexed from 1)		C88 H90 R91 C108 Y110 H111 W113
Annotation score1
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

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:2b1x, PDBe:2b1x, PDBj:2b1x
PDBsum2b1x
PubMed16237006
UniProtQ9X3R9

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