Structure of PDB 7mms Chain A Binding Site BS01

Receptor Information
>7mms Chain A (length=313) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NYYDRSVSPVEYAYFDQSQNMRAINWNKIVDEKDLEVWNRVTQNFWLPEN
IPVSNDLPSWNELDDDWQQLITRTFTGLTLLDTVQSSIGDVAQIKNSLTE
QEQVIYANFAFMVGVHARSYGTIFSTLCTSEQIEEAHEWVVDNEALQARP
KALIPFYTADDPLKSKIAAALMPGFLLYGGFYLPFYLSARGKLPNTSDII
RLILRDKVIHNFYSGYKYQLKVAKLSPEKQAEMKQFVFDLLDKMIGLEKT
YLHQLYDGFGLADEAIRFSLYNAGKFLQNLGYESPFTKEETRIAPEVFAQ
LSARADLDEDWDF
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain7mms Chain A Residue 404 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7mms Ribonucleotide Reductase
Resolution1.91 Å
Binding residue
(original residue number in PDB)		P51 E52 R121
Binding residue
(residue number reindexed from 1)		P48 E49 R118
Annotation score1
Enzymatic activity
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
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7mms, PDBe:7mms, PDBj:7mms
PDBsum7mms
PubMed
UniProtF2I8X9

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