Structure of PDB 3ufx Chain I Binding Site BS02

Receptor Information
>3ufx Chain I (length=371) Species: 271 (Thermus aquaticus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNLHEYQAKEILARYGVPVPPGKVAYTPEEAKRIAEEFGKRVVIKAQVHV
GGRGKAGGVKLADTPQEAYEKAQAILGMNIKGLTVKKVLVAEAVDIAKEY
YAGLILDRAKKRVVLMLSKEGGVDIEEVAAERPEAIHKFWIDPHKGFRPF
EAREMVKRAGLEGNLNKLAQVLVALYRAYEGVDASIAEINPLVVTTDGGI
VAADAKIVLDDNALFRHPDLAELREVEAEHPLEVEASNYGFAYVKLDGNI
GIIGNGAGLVMYTLDLVNRVGGKPANFLDIGGGAKADVVYNALKVVLKDP
DVKGVFINIFGGITRADEVAKGVIRALEEGLLTKPVVMRVAGTAEEEAKK
LLEGKPVYMYPTSIEAAKVTV
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 chain3ufx Chain I Residue 399 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3ufx Biochemical and structural characterization of the GTP-preferring succinyl-CoA synthetase from Thermus aquaticus.
Resolution2.35 Å
Binding residue
(original residue number in PDB)		N190 D204
Binding residue
(residue number reindexed from 1)		N190 D204
Annotation score1
Enzymatic activity
Enzyme Commision number 6.2.1.4: succinate--CoA ligase (GDP-forming).
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0003824 catalytic activity
GO:0004775 succinate-CoA ligase (ADP-forming) activity
GO:0004776 succinate-CoA ligase (GDP-forming) activity
GO:0005524 ATP binding
GO:0005525 GTP binding
GO:0016874 ligase activity
GO:0046872 metal ion binding
Biological Process
GO:0006099 tricarboxylic acid cycle
GO:0006104 succinyl-CoA metabolic process
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0042709 succinate-CoA ligase complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3ufx, PDBe:3ufx, PDBj:3ufx
PDBsum3ufx
PubMed22751660
UniProtP25126|SUCC_THETH Succinate--CoA ligase [GDP-forming] subunit beta (Gene Name=sucC)

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