Structure of PDB 2b24 Chain E Binding Site BS03

Receptor Information
>2b24 Chain E (length=440) [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
VLEPDPNWTGPGEAYPLDYAEANQRNFLEYWMQLMLAESP
Ligand information
Ligand IDIND
InChIInChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H
InChIKeySIKJAQJRHWYJAI-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[nH]1ccc2ccccc12
OpenEye OEToolkits 1.5.0c1ccc2c(c1)cc[nH]2
ACDLabs 10.04c1cccc2c1ccn2
FormulaC8 H7 N
NameINDOLE
ChEMBLCHEMBL15844
DrugBankDB04532
ZINCZINC000014516984
PDB chain2b24 Chain E Residue 503 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2b24 Structure and Increased Thermostability of Rhodococcus sp. Naphthalene 1,2-Dioxygenase.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		D213 H295 F307
Binding residue
(residue number reindexed from 1)		D213 H295 F307
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

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Molecular Function
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Biological Process
External links
PDB RCSB:2b24, PDBe:2b24, PDBj:2b24
PDBsum2b24
PubMed16237006
UniProtQ9X3R9

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