Structure of PDB 2fhk Chain A Binding Site BS01

Receptor Information
>2fhk Chain A (length=296) Species: 2320 (Methanopyrus kandleri) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MEINGVEIEDTFAEAFEAKMARVLITAASHKWAMIAVKEATGFGTSVIMC
PAEAGIDCGYVPPEETPDGRPGVTIMIGHNDEDELKEQLLDRIGQCVMTA
PTASAFDAMPEAEKEDEDRVGYKLSFFGDGYQEEDELDGRKVWKIPVVEG
EFIVEDSFGITTGVAGGNFYIMAESQPAGLQAAEAAVDAIKGVEGAYAPF
PGGIVASASKVGSKQYDFLPASTNDAYCPTVEDNELPEGVKCVYEIVING
LNEEAVKEAMRVGIEAACQQPGVVKISAGNFGGKLGQYEIHLHDLF
Ligand information
Ligand IDMFN
InChIInChI=1S/C35H44N4O16/c40-19-36-16-23-15-21(18-55-23)17-54-22-3-1-20(2-4-22)13-14-37-28(41)10-7-26(34(50)51)39-30(43)11-8-27(35(52)53)38-29(42)9-5-24(32(46)47)25(33(48)49)6-12-31(44)45/h1-4,15,18-19,24-27H,5-14,16-17H2,(H,36,40)(H,37,41)(H,38,42)(H,39,43)(H,44,45)(H,46,47)(H,48,49)(H,50,51)(H,52,53)/t24?,25?,26-,27+/m1/s1
InChIKeyRGBIJPWAWLXPOC-XRVZLLLRSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)C(CCC(=O)O)C(C(=O)O)CCC(=O)NC(C(=O)O)CCC(=O)NC(C(=O)O)CCC(=O)NCCc2ccc(OCc1cc(oc1)CNC=O)cc2
OpenEye OEToolkits 1.5.0c1cc(ccc1CCNC(=O)CCC(C(=O)O)NC(=O)CCC(C(=O)O)NC(=O)CCC(C(CCC(=O)O)C(=O)O)C(=O)O)OCc2cc(oc2)CNC=O
OpenEye OEToolkits 1.5.0c1cc(ccc1CCNC(=O)CC[C@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)NC(=O)CC[C@H]([C@H](CCC(=O)O)C(=O)O)C(=O)O)OCc2cc(oc2)CNC=O
CACTVS 3.341OC(=O)CCC([CH](CCC(=O)N[CH](CCC(=O)N[CH](CCC(=O)NCCc1ccc(OCc2coc(CNC=O)c2)cc1)C(O)=O)C(O)=O)C(O)=O)C(O)=O
CACTVS 3.341OC(=O)CCC([C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@H](CCC(=O)NCCc1ccc(OCc2coc(CNC=O)c2)cc1)C(O)=O)C(O)=O)C(O)=O)C(O)=O
FormulaC35 H44 N4 O16
NameN-[4,5,7-TRICARBOXYHEPTANOYL]-L-GAMMA-GLUTAMYL-N-{2-[4-({5-[(FORMYLAMINO)METHYL]-3-FURYL}METHOXY)PHENYL]ETHYL}-D-GLUTAMINE
ChEMBL
DrugBank
ZINC
PDB chain2fhk Chain A Residue 600 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2fhk The structure of formylmethanofuran: tetrahydromethanopterin formyltransferase in complex with its coenzymes
Resolution2.0 Å
Binding residue
(original residue number in PDB)		Q95 M98 K123 F126 F127
Binding residue
(residue number reindexed from 1)		Q95 M98 K123 F126 F127
Annotation score3
Enzymatic activity
Enzyme Commision number 2.3.1.101: formylmethanofuran--tetrahydromethanopterin N-formyltransferase.
Gene Ontology
Molecular Function
GO:0016740 transferase activity
GO:0016746 acyltransferase activity
GO:0030270 formylmethanofuran-tetrahydromethanopterin N-formyltransferase activity
Biological Process
GO:0006730 one-carbon metabolic process
GO:0015948 methanogenesis
GO:0019386 methanogenesis, from carbon dioxide
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2fhk, PDBe:2fhk, PDBj:2fhk
PDBsum2fhk
PubMed16466742
UniProtQ49610|FTR_METKA Formylmethanofuran--tetrahydromethanopterin formyltransferase (Gene Name=ftr)

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