Structure of PDB 2w6d Chain B Binding Site BS12

Receptor Information
>2w6d Chain B (length=680) Species: 63737 (Nostoc punctiforme PCC 73102) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VNQVATDRFIQDLERVAQVRSEMSVCLNKLAETINKAELAGDSSSGKLSL
ERDIEDITIASKNLQQGVFRLLVLGDMKRGKSTFLNALIGENLLPSTAVL
TVLRYGPEKKVTIHFNDGKSPQQLDFQNFKYKYTIDPAEAKKLEQEKKQA
FPDVDYAVVEYPLTLLQKGIEIVDSPGLNDTEARNELSLGYVNNCHAILF
VMRASQPCTLGERRYLENYIKGRGLTVFFLVNAWDQVRESLIDPDDVEEL
QASENRLRQVFNANLAEYCTVEGQNIYDERVFELSSIQALRRRLKNPQAD
LDGTGFPKFMDSLNTFLTRERAIAELRQVRTLARLACNHTREAVARRIPL
LEQDVNELKKRIDSVEPEFNKLTGIRDEFQKEIINTRDTQARTISESFRS
YVLNLGNTFENDFLRYQPELNLFDFLSSGKREAFNAALQKAFEQYITDKS
AAWTLTAEKDINAAFKELSRSASQYGASYNQITDQITEKLTGKDVEDNSP
GWAKWAMGLLSLSKGNLAGFALAGAGFDWKNILLNYFTVIGIGGIITAVT
GILLGPIGFALLGLGVGFLQADQARRELVKTAKKELVKHLPQVAHEQSQV
VYNAVKECFDSYEREVSKRINDDIVSRKSELDNLVKQKQTREINRESEFN
RLKNLQEDVIAQLQKIEAAYSNLLAYYSHH
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 chain2w6d Chain B Residue 1706 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2w6d Structure of a Bacterial Dynamin-Like Protein Lipid Tube Provides a Mechanism for Assembly and Membrane Curving.
Resolution9.0 Å
Binding residue
(original residue number in PDB)		K79 G81 K82 S83 T84 N238 A239 D241 S291 I293
Binding residue
(residue number reindexed from 1)		K78 G80 K81 S82 T83 N232 A233 D235 S285 I287
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
GO:0008289 lipid binding
GO:0016787 hydrolase activity
GO:0042802 identical protein binding
Biological Process
GO:0008053 mitochondrial fusion
Cellular Component
GO:0005886 plasma membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2w6d, PDBe:2w6d, PDBj:2w6d
PDBsum2w6d
PubMed20064379
UniProtB2IZD3|BDLP_NOSP7 Bacterial dynamin-like protein (Gene Name=Npun_R6513)

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