Structure of PDB 5us8 Chain B Binding Site BS01

Receptor Information
>5us8 Chain B (length=445) Species: 257313 (Bordetella pertussis Tohama I) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SNAMTTILPNLPTGQKVGIAFSGGLDTSAALLWMRQKGAVPYAYTANLGQ
PDEPDYDEIPRRAMQYGAEAARLVDCRAQLVAEGIAALQAGAFHISTAGL
TYFNTTPIGRAVTGTMLVAAMKEDGVNIWGDGSTFKGNDIERFYRYGLLT
NPDLKIYKPWLDQTFIDELGGRAEMSEYMRQAGFDYKMSAEKAYSTDSNM
LGATHEAKDLELLSAGIRIVQPIMGVAFWQDSVQIKAEEVTVRFEEGQPV
ALNGVEYADPVELLLEANRIGGRHGLGMSDQIENRIIEAKSRGIYEAPGL
ALLFIAYERLVTGIHNEDTIEQYRENGRKLGRLLYQGRWFDPQAIMLRET
AQRWVARAITGEVTLELRRGNDYSLLNTESANLTYAPERLSMEKVENAPF
TPADRIGQLTMRNLDIVDTREKLFTYVKTGLLAPSAGSALPQIKD
Ligand information
Ligand IDADN
InChIInChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
InChIKeyOIRDTQYFTABQOQ-KQYNXXCUSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO)[CH](O)[CH]3O
ACDLabs 10.04n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CO)N
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO)O)O)N
FormulaC10 H13 N5 O4
NameADENOSINE
ChEMBLCHEMBL477
DrugBankDB00640
ZINCZINC000002169830
PDB chain5us8 Chain B Residue 503 [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]
PDB5us8 2.15 Angstrom Resolution Crystal Structure of Argininosuccinate Synthase from Bordetella pertussis
Resolution2.15 Å
Binding residue
(original residue number in PDB)		R321 E322 R325
Binding residue
(residue number reindexed from 1)		R324 E325 R328
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) D23 R107 D136 S192
Catalytic site (residue number reindexed from 1) D26 R110 D139 S195
Enzyme Commision number 6.3.4.5: argininosuccinate synthase.
Gene Ontology
Molecular Function
GO:0004055 argininosuccinate synthase activity
GO:0005524 ATP binding
GO:0016874 ligase activity
GO:0042803 protein homodimerization activity
Biological Process
GO:0000050 urea cycle
GO:0000053 argininosuccinate metabolic process
GO:0006526 L-arginine biosynthetic process
Cellular Component
GO:0005737 cytoplasm

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:5us8, PDBe:5us8, PDBj:5us8
PDBsum5us8
PubMed
UniProtQ7VTJ9|ASSY_BORPE Argininosuccinate synthase (Gene Name=argG)

[Back to BioLiP]