Structure of PDB 6gbc Chain A Binding Site BS01

Receptor Information
>6gbc Chain A (length=423) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EMIPTEEALRIVFGVSKRLPPVIVSLYEALGKVLAEDIRAPDPLPPYPAS
VKDGYAVVASDGPGEYPVITESRAGNDGLGVTVTPGTVAYVTTGGPIPDG
ADAVVQVEDTKVIGDVSTESKRVKILIQTKKGTDIRRVGCDIEKDATVLT
TGERIGASEIGLLATAGVTMVKVYPMPIVAILSTGDELVEPTAGTLGRGQ
IRDSNRAMLVAAVMQQQCKVVDLGIVRDDRKELEKVLDEAVSSGVDIILT
SGGVSMGDRDFVKPLLEEKGKVYFSKVLMKPGKPLTFAEIRAKPGKTVLA
FGLPGNPVSCLVCFNIFVVPTIRQLAGWTSPHPLRVRLRLQEPIKSDPIA
PEFHRAIIKWKDNDGSGTPGFVAESTGHQMSSRLLSMRSANALLELPATG
NVLSAGSSVSAIIVSDISAFSID
Ligand information
Ligand IDAMP
InChIInChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)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
InChIKeyUDMBCSSLTHHNCD-KQYNXXCUSA-N
SMILES
SoftwareSMILES
CACTVS 3.370Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.370Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N
ACDLabs 12.01O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)N
FormulaC10 H14 N5 O7 P
NameADENOSINE MONOPHOSPHATE
ChEMBLCHEMBL752
DrugBankDB00131
ZINCZINC000003860156
PDB chain6gbc Chain A Residue 501 [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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PDB6gbc The functional principle of eukaryotic molybdenum insertases.
Resolution1.59 Å
Binding residue
(original residue number in PDB)		S197 E201 L202 I215 D217 S218 N219 G266 G267 G324 N325
Binding residue
(residue number reindexed from 1)		S183 E187 L188 I201 D203 S204 N205 G252 G253 G305 N306
Annotation score5
Enzymatic activity
Enzyme Commision number 2.10.1.1: molybdopterin molybdotransferase.
2.7.7.75: molybdopterin adenylyltransferase.
Gene Ontology
Biological Process
GO:0006777 Mo-molybdopterin cofactor biosynthetic process
GO:0032324 molybdopterin cofactor biosynthetic process

View graph for
Biological Process
External links
PDB RCSB:6gbc, PDBe:6gbc, PDBj:6gbc
PDBsum6gbc
PubMed29717023
UniProtQ39054|CNX1_ARATH Molybdopterin biosynthesis protein CNX1 (Gene Name=CNX1)

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