Structure of PDB 4b46 Chain A Binding Site BS01

Receptor Information
>4b46 Chain A (length=330) Species: 2246 (Haloferax volcanii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKLAMIGFGQAGGKVVDKFVEYDRERNAGIVRAAVAVNSAKADLLGLKNI
PKDQRVLIGQSRVKGHGVGADNELGAEIAEEDIDEVQGAIDSIPVHEVDA
FLVVSGLGGGTGSGGAPVLAKHLKRIYTEPVYGLGILPGSDEGGIYTLNA
ARSFQTFVREVDNLLVFDNDAWRKTGESVQGGYDEINEEIVNRFGVLFGS
VVDSSEIINTLAGGGVSTVGYASEGVTAHTTNRITSLVRKAALGRLTLPC
EIEGAERALLVLAGPPEHLNRKGIERGRKWIEEQTGSMEVRGGDYPIPGA
EKVAGVILLSGVTNVPRIKELQQVAIEAQD
Ligand information
Ligand IDGDP
InChIInChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
InChIKeyQGWNDRXFNXRZMB-UUOKFMHZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
CACTVS 3.385NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
CACTVS 3.385NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 12.01O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
OpenEye OEToolkits 1.7.6c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
FormulaC10 H15 N5 O11 P2
NameGUANOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL384759
DrugBankDB04315
ZINCZINC000008215481
PDB chain4b46 Chain A Residue 1368 [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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PDB4b46 Cetz Tubulin-Like Proteins Control Archaeal Cell Shape
Resolution1.9 Å
Binding residue
(original residue number in PDB)		G9 Q10 A11 K14 G109 G110 T111 G112 P138 E142 N169 Y183 N187
Binding residue
(residue number reindexed from 1)		G9 Q10 A11 K14 G109 G110 T111 G112 P138 E142 N169 Y183 N187
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003924 GTPase activity
GO:0005525 GTP binding
Biological Process
GO:0007017 microtubule-based process
GO:0008360 regulation of cell shape
GO:0051301 cell division
Cellular Component
GO:0005737 cytoplasm
GO:0005874 microtubule
GO:0032153 cell division site

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4b46, PDBe:4b46, PDBj:4b46
PDBsum4b46
PubMed25533961
UniProtD4GVD7|CETZ1_HALVD Tubulin-like protein CetZ1 (Gene Name=cetZ1)

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