Structure of PDB 1z0j Chain A Binding Site BS02

Receptor Information

>1z0j Chain A (length=169) Species: 10090 (Mus musculus)

GSALRELKVCLLGDTGVGKSSIMWRFVEDSFDPNINPTIGASFMTKTVQY
QNELHKFLIWDTAGLERFRALAPMYYRGSAAAIIVYDITKEETFSTLKNW
VRELRQHGPPSIVVAIAGNKCDLTDVREVMERDAKDYADSIHAIFVETSA
KNAININELFIEISRRIPS

Ligand information

• Ligand ID: GTP
• InChI: InChI=1S/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
• InChIKey: XKMLYUALXHKNFT-UUOKFMHZSA-N
• SMILES:
  OpenEye OEToolkits 1.7.6: c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
  CACTVS 3.370: NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
  CACTVS 3.370: NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
  OpenEye OEToolkits 1.7.6: c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
  ACDLabs 12.01: O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
• Formula: C10 H16 N5 O14 P3
• Name: GUANOSINE-5'-TRIPHOSPHATE
• ChEMBL: CHEMBL1233147
• DrugBank: DB04137
• ZINC: ZINC000060094177
• PDB chain: 1z0j Chain A Residue 500

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1z0j Structural basis of family-wide Rab GTPase recognition by rabenosyn-5.
• Resolution: 1.32 Å
• Binding residue (original residue number in PDB): T14 G15 V16 G17 K18 S19 S20 F30 P32 I34 P36 T37 G63 N118 K119 D121 S148 K150
• Binding residue (residue number reindexed from 1): T15 G16 V17 G18 K19 S20 S21 F31 P33 I35 P37 T38 G64 N119 K120 D122 S149 K151
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0003924 GTPase activity
• GO:0005525 GTP binding

External links

• PDB: RCSB:1z0j, PDBe:1z0j, PDBj:1z0j
• PDBsum: 1z0j
• PubMed: 16034420
• UniProt: P35285|RB22A_MOUSE Ras-related protein Rab-22A (Gene Name=Rab22a)