Structure of PDB 6pt8 Chain B Binding Site BS02

Receptor Information
>6pt8 Chain B (length=349) Species: 243232 (Methanocaldococcus jannaschii DSM 2661) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MSIIAINENGFLDKIKGRNPLFTCVISSIETTLSIPISGVHRDVIKYTPS
ADVELVFYGKSLTLKTPPIDATGSPTPATITRACVELKNIKNLHIDAGAF
VKPKIPFIEIDEKPTGRIEEGKAMNNSKELYMKGYLLGKNLDAELLIVGE
SVPGGTTTALGVLLGLGYDAEGKVSSGSINNPHELKIKVVREGLKKAGIN
EKSSVFDVLNAVGDKMMPVVAGLAISFAERNKPVILAGGTQMSAVLAVIK
EINKKVLDKNLIAIGTTEFVLNDKKGDLKGIVEQIGNVPVLASKFYFEKA
KIEGLKNYCKGSVKEGVGAGGIAVYSIVNDLEPTKIREFIENKFYEWYK
Ligand information
Ligand IDAAM
InChIInChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)14-3-15(5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10+/m1/s1
InChIKeyNVOIXARBSSLBAS-CRKDRTNXSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)ncn2C3C(C(C(O3)COP(=O)(O)O)O)O)N
ACDLabs 10.04O=P(O)(O)OCC3OC(n2cnc1ncnc(N)c12)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)ncn2[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2ncn([C@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O)c12
CACTVS 3.341Nc1ncnc2ncn([CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O)c12
FormulaC10 H14 N5 O7 P
NameALPHA-ADENOSINE MONOPHOSPHATE
ChEMBL
DrugBankDB03887
ZINCZINC000013543135
PDB chain6pt8 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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PDB6pt8 Structural Studies of a Phosphoribosyltransferase Involved in Cobamide Biosynthesis in Methanogenic Archaea
Resolution1.4 Å
Binding residue
(original residue number in PDB)		S38 G39 V40 D52 D70 T76 P77 E150 S151 V152 P153 G154 T156 G177
Binding residue
(residue number reindexed from 1)		S38 G39 V40 D52 D70 T76 P77 E150 S151 V152 P153 G154 T156 G177
Annotation score2
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008939 nicotinate-nucleotide-dimethylbenzimidazole phosphoribosyltransferase activity

View graph for
Molecular Function
External links
PDB RCSB:6pt8, PDBe:6pt8, PDBj:6pt8
PDBsum6pt8
PubMed36229494
UniProtQ58993|Y1598_METJA UPF0284 protein MJ1598 (Gene Name=MJ1598)

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