Structure of PDB 4nxx Chain A Binding Site BS01

Receptor Information
>4nxx Chain A (length=325) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MSLQEKLLTYYRNRAAIPAGEQARAKQAAVDICAELRSFLRAKLPDMPLR
DMYLSGSLYDDLQVVTADHIQLIVPLVLEQNLWSCIPGEDTIMNVPGFFL
VRRENRGSSYWDRCVVGGYLSPKTVADTFEKVVAGSINWPAIGSLLDYVI
RPAPPPEALTLEVQYERDKHLFIDFLPSVTLGDTVLVAKPHRLAQYDNLW
RLSLRPAETARLRALDQADSGCRSLCLKILKAICKSTPALGHLTASQLTN
VILHLAQEEADWSPDMLADRFLQALRGLISYLEAGVLPSALNPKVNLFAE
LTPEEIDELGYTLYCSLSEPEVLLQ
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 chain4nxx Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB4nxx Structural and functional analysis of MiD51, a dynamin receptor required for mitochondrial fission.
Resolution2.55 Å
Binding residue
(original residue number in PDB)		S187 S189 Q203 K326 S340 R342 K368 A382
Binding residue
(residue number reindexed from 1)		S55 S57 Q71 K189 S203 R205 K231 A245
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0007005 mitochondrion organization
Cellular Component
GO:0005741 mitochondrial outer membrane

View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4nxx, PDBe:4nxx, PDBj:4nxx
PDBsum4nxx
PubMed24515348
UniProtQ9NQG6|MID51_HUMAN Mitochondrial dynamics protein MIEF1 (Gene Name=MIEF1)

[Back to BioLiP]