Structure of PDB 3l43 Chain C Binding Site BS01

Receptor Information
>3l43 Chain C (length=238) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QIAVVGGQSAGKSSVLENFVGRDFLPRTRRPLVLQLITSKAEYAEFLHCK
GKKFTDFDEVRLEIEAETDISSIPINLRVYSPHVLNLTLIDLPGITKVPV
GDQPPDIEYQIREMIMQFITRENCLILAVTPANTDLANSDALKLAKEVDP
QGLRTIGVITKLDLMDEGTDARDVLENKLLPLRRGYVGVVNRSQKDIDGK
KDIKAAMLAERKFFLSHPAYRHIADRMGTPHLQKVLNQ
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 chain3l43 Chain C Residue 901 [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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PDB3l43 Crystal structure of the dynamin 3 GTPase domain bound with GDP
Resolution2.27 Å
Binding residue
(original residue number in PDB)		S41 G43 K44 S45 S46 R59 K206 D208 L209 N236 R237 S238 Q239
Binding residue
(residue number reindexed from 1)		S9 G11 K12 S13 S14 R27 K161 D163 L164 N191 R192 S193 Q194
Annotation score4
Enzymatic activity
Enzyme Commision number 3.6.5.5: dynamin GTPase.
Gene Ontology
Molecular Function
GO:0003924 GTPase activity
GO:0005525 GTP binding

View graph for
Molecular Function
External links
PDB RCSB:3l43, PDBe:3l43, PDBj:3l43
PDBsum3l43
PubMed
UniProtQ9UQ16|DYN3_HUMAN Dynamin-3 (Gene Name=DNM3)

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