Structure of PDB 3dhz Chain B Binding Site BS01

Receptor Information
>3dhz Chain B (length=296) Species: 1697 (Corynebacterium ammoniagenes) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SNEYDEYIANHTDPVKAINWNVIPDEKDLEVWDRLTGNFWLPEKIPVSND
IQSWNKMTPQEQLATMRVFTGLTLLDTIQGTVGAISLLPDAETMHEEAVY
TNIAFMESVHAKSYSNIFMTLASTPQINEAFRWSEENENLQRKAKIIMSY
YNGDDPLKKKVASTLLESFLFYSGFYLPMYLSSRAKLTNTADIIRLIIRD
ESVHGYYIGYKYQQGVKKLSEAEQEEYKAYTFDLMYDLYENEIEYTEDIY
DDLGWTEDVKRFLRYNANKALNNLGYEGLFPTDETKVSPAILSSLS
Ligand information
Ligand IDFE2
InChIInChI=1S/Fe/q+2
InChIKeyCWYNVVGOOAEACU-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Fe+2]
CACTVS 3.341[Fe++]
FormulaFe
NameFE (II) ION
ChEMBL
DrugBankDB14510
ZINC
PDB chain3dhz Chain B Residue 903 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3dhz Structural and mutational studies of the carboxylate cluster in Iron-free Ribonucleotide Reductase R2.
Resolution1.63 Å
Binding residue
(original residue number in PDB)		D77 E108 H111 F172 E202
Binding residue
(residue number reindexed from 1)		D76 E107 H110 F171 E201
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) Y115 D201
Catalytic site (residue number reindexed from 1) Y114 D200
Enzyme Commision number 1.17.4.1: ribonucleoside-diphosphate reductase.
Gene Ontology
Molecular Function
GO:0004748 ribonucleoside-diphosphate reductase activity, thioredoxin disulfide as acceptor
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
Biological Process
GO:0009263 deoxyribonucleotide biosynthetic process
Cellular Component
GO:0005971 ribonucleoside-diphosphate reductase complex

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Molecular Function
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Cellular Component
External links
PDB RCSB:3dhz, PDBe:3dhz, PDBj:3dhz
PDBsum3dhz
PubMed15196041
UniProtO69274

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