Structure of PDB 4d8g Chain D Binding Site BS01

Receptor Information
>4d8g Chain D (length=331) Species: 813 (Chlamydia trachomatis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SHMQADILDGKQKRVNLNSKRLVNCNQVDVNQLVPIKYKWAWEHYLNGCA
NNWLPTEIPMGKDIELWKSDRLSEDERRVILLNLGFFSTAESLVGNNIVL
AIFKHVTNPEARQYLLRQAFEEAVHTHTFLYICESLGLDEKEIFNAYNER
AAIKAKDDFQMEITGKVLDPNFRTDSVEGLQEFVKNLVGYYIIMEGIFFY
SGFVMILSFHRQNKMIGIGEQYQYILRDETIHLNFGIDLINGIKEENPEI
WTPELQQEIVELIKRAVDLEIEYAQDCLPRGILGLRASMFIDYVQHIADR
RLERIGLKPIYHTKNPFPWMSETIDLNKEKN
Ligand information
Ligand IDMN
InChIInChI=1S/Mn/q+2
InChIKeyWAEMQWOKJMHJLA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mn+2]
CACTVS 3.341[Mn++]
FormulaMn
NameMANGANESE (II) ION
ChEMBL
DrugBankDB06757
ZINC
PDB chain4d8g Chain D Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4d8g Evidence that the beta subunit of Chlamydia trachomatis ribonucleotide reductase is active with the manganese ion of its manganese(IV)/iron(III) cofactor in site 1.
Resolution1.75 Å
Binding residue
(original residue number in PDB)		E89 E120 H123 E227
Binding residue
(residue number reindexed from 1)		E91 E122 H125 E229
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) F127 D226
Catalytic site (residue number reindexed from 1) F129 D228
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

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Molecular Function
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Biological Process
External links
PDB RCSB:4d8g, PDBe:4d8g, PDBj:4d8g
PDBsum4d8g
PubMed22242660
UniProtO84835|RIR2_CHLTR Ribonucleoside-diphosphate reductase subunit beta (Gene Name=nrdB)

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