Structure of PDB 6djq Chain C Binding Site BS01

Receptor Information
>6djq Chain C (length=343) Species: 759272 (Thermochaetoides thermophila DSM 1495) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QPGGISDPNLIKLVNKLQDVFTTVGVNNPIDLPQIVVVGSQSSGKSSVLE
NIVGRDFLPRGQGIVTRRPLVLQLINRDEWGEFLHLPGQKFYDFNKIRDE
INRETEAKVGRNAGISPAPINLRIYSPHVLNLTLVDLPGLTRVPVGDQPR
DIERQIRDMILKYIQKPNAIILAVTAANVDLANSDGLKLAREVDPEGQRT
IGVLTKVDLMDEGTDVVDILAGRIIPLRLGYVPVVNRGQRDIDNKKPITA
ALEAEKAFFENHKAYRNKSAYCGTPYLARKLNLILMMHIKQTLPDIKQRI
SSSLQKYQQELEALGPDYTVRRRKECQQMVESLQRAAEIVSQV
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 chain6djq Chain C Residue 1001 [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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PDB6djq Structures of the fungal dynamin-related protein Vps1 reveal a unique, open helical architecture.
Resolution3.1 Å
Binding residue
(original residue number in PDB)		S53 G55 K56 S57 S58 R71 G72 K240 D242 L243 V269 N270 R271 G272 Q273 I276
Binding residue
(residue number reindexed from 1)		S42 G44 K45 S46 S47 R60 G61 K206 D208 L209 V235 N236 R237 G238 Q239 I242
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003924 GTPase activity
GO:0005525 GTP binding

View graph for
Molecular Function
External links
PDB RCSB:6djq, PDBe:6djq, PDBj:6djq
PDBsum6djq
PubMed30087125
UniProtG0SFF0

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