Structure of PDB 5erv Chain A Binding Site BS01

Receptor Information
>5erv Chain A (length=413) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SPFPLTSMDKAFITVLEMTPVLGTEIINYRDGMGRVLAQDVYAKDNLPPF
PASVKDGYAVRAADGPGDRFIIGESQAGEQPTQTVMPGQVMRVTTGAPIP
CGADAVVQVEDTELIRESDDGTEELEVRILVQARPGQDIRPIGHDIKRGE
CVLAKGTHMGPSEIGLLATVGVTEVEVNKFPVVAVMSTGNELLNPEDDLL
PGKIRDSNRSTLLATIQEHGYPTINLGIVGDNPDDLLNALNEGISRADVI
ITSGGVSMGEKDYLKQVLDIDLHAQIHFGRVFMKPGLPTTFATLDIDGVR
KIIFALPGNPVSAVVTCNLFVVPALRKMQGILDPRPTIIKARLSCDVKLD
PRPEYHRCILTWHHQEPLPWAQSTSRLMSMRSANGLLMLPPKTEQYVELH
KGEVVDVMVIGRL
Ligand information
Ligand IDADP
InChIInChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyXTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
FormulaC10 H15 N5 O10 P2
NameADENOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL14830
DrugBankDB16833
ZINCZINC000012360703
PDB chain5erv Chain A Residue 801 [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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PDB5erv Structural Framework for Metal Incorporation during Molybdenum Cofactor Biosynthesis.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		E509 L510 I522 D524 S525 N526 G572 G573 V574 S575 D580 G626 N627 P628
Binding residue
(residue number reindexed from 1)		E191 L192 I204 D206 S207 N208 G254 G255 V256 S257 D262 G308 N309 P310
Annotation score4
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:5erv, PDBe:5erv, PDBj:5erv
PDBsum5erv
PubMed27112598
UniProtQ03555|GEPH_RAT Gephyrin (Gene Name=Gphn)

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