Structure of PDB 6bxm Chain B Binding Site BS02

Receptor Information
>6bxm Chain B (length=314) Species: 1392998 (Candidatus Methanoperedens nitroreducens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FDLERILKTIKDKNCKKVGLQFPEGLKRQAINIAREIEEKTRANVIISGN
PCFGACDIDTILAGSVDILFHFGHAGMGEYENVVFIEARSNIDIIPAVKT
ALNLLKANRIGLITTVQHVHKLEEACKVIKEYGKECVIGKPRAIYPGQVL
GCNFTAARVDCEEFIYIGSGIFHPLGVAIATKKRVIAADPFLNQAVEVSP
ERFLRKRGGYIAKATGAKIFGIIVSTKSGQYRMKLAQKLKEIADKHGKIG
YIILMDLVTPEQLLAFKADAYVNTACPRITIDDAERFHAPVLTPQEFEIV
LGERRWENMEMDEM
Ligand information
Ligand IDABA
InChIInChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1
InChIKeyQWCKQJZIFLGMSD-VKHMYHEASA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6CCC(C(=O)O)N
OpenEye OEToolkits 1.7.6CC[C@@H](C(=O)O)N
CACTVS 3.385CC[C@H](N)C(O)=O
CACTVS 3.385CC[CH](N)C(O)=O
ACDLabs 12.01O=C(O)C(N)CC
FormulaC4 H9 N O2
NameALPHA-AMINOBUTYRIC ACID
ChEMBLCHEMBL1230782
DrugBank
ZINCZINC000000901351
PDB chain6bxm Chain B Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6bxm Organometallic and radical intermediates reveal mechanism of diphthamide biosynthesis.
Resolution2.252 Å
Binding residue
(original residue number in PDB)		L157 G158 H180 R285
Binding residue
(residue number reindexed from 1)		L150 G151 H173 R278
Annotation score1
Enzymatic activity
Enzyme Commision number 2.5.1.108: 2-(3-amino-3-carboxypropyl)histidine synthase.
Gene Ontology
Molecular Function
GO:0016740 transferase activity
GO:0046872 metal ion binding
GO:0051539 4 iron, 4 sulfur cluster binding
GO:0090560 2-(3-amino-3-carboxypropyl)histidine synthase activity
Biological Process
GO:0017183 protein histidyl modification to diphthamide

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:6bxm, PDBe:6bxm, PDBj:6bxm
PDBsum6bxm
PubMed29590073
UniProtA0A062UZ78

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