Structure of PDB 4d8f Chain B Binding Site BS01

Receptor Information

>4d8f Chain B (length=334) Species: 813 (Chlamydia trachomatis)

SSGLVPRGSHMQADILDGKQKRVNLNSKRLVNCNQVDVNQLVPIKYKWAW
EHYLNGCANNWLPTEIPMGKDIELWKSDRLSEDERRVILLNLGFFSTAES
LVGNNIVLAIFKHVTNPEARQYLLRQAFEEAVHTHTFLYICESLGLDEKE
IFNAYNERAAIKAKDDFQMEITGKVLDPNFRTDSVEGLQEFVKNLVGYYI
IMEGIFFYSGFVMILSFHRQNKMIGIGEQYQYILRDETIHLNFGIDLING
IKEENPEIWTPELQQEIVELIKRAVDLEIEYAQDCLPRGILGLRASMFID
YVQHIADRRLERIGLKPIYHTKNPFPWMSETIDL

Ligand information

• Ligand ID: MN
• InChI: InChI=1S/Mn/q+2
• InChIKey: WAEMQWOKJMHJLA-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mn+2]
  CACTVS 3.341: [Mn++]
• Formula: Mn
• Name: MANGANESE (II) ION
• DrugBank: DB06757
• PDB chain: 4d8f Chain B Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4d8f 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.
• Resolution: 2.2 Å
• Binding residue (original residue number in PDB): E89 E120 H123 E227
• Binding residue (residue number reindexed from 1): E99 E130 H133 E237
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): F127 D226
• Catalytic site (residue number reindexed from 1): F137 D236
• 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

External links

• PDB: RCSB:4d8f, PDBe:4d8f, PDBj:4d8f
• PDBsum: 4d8f
• PubMed: 22242660
• UniProt: O84835|RIR2_CHLTR Ribonucleoside-diphosphate reductase subunit beta (Gene Name=nrdB)