Structure of PDB 2fhj Chain B Binding Site BS02

Receptor Information
>2fhj Chain B (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 chain2fhj Chain A Residue 902 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB2fhj The structure of formylmethanofuran: tetrahydromethanopterin formyltransferase in complex with its coenzymes
Resolution2.0 Å
Binding residue
(original residue number in PDB)		Q95 M98 K123 F127
Binding residue
(residue number reindexed from 1)		Q95 M98 K123 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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:2fhj, PDBe:2fhj, PDBj:2fhj
PDBsum2fhj
PubMed16466742
UniProtQ49610|FTR_METKA Formylmethanofuran--tetrahydromethanopterin formyltransferase (Gene Name=ftr)

[Back to BioLiP]