Structure of PDB 8bqs Chain A0 Binding Site BS01

Receptor Information
>8bqs Chain A0 (length=503) Species: 312017 (Tetrahymena thermophila SB210) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GRKTIFVAAGSPSHDLQAANFMRDLKKKSNNNYDFVGIGGPLMQAEGLNQ
SYADINKFIDKPFFPLKNFIRFHVARCYHPYMAPLHFFNKQVLNQVDKSS
LLKDQVELSIPSAIITFGNEFFMKKLYVRLCDQYELHNKIRPPTFFYDRS
HINQRFEFQDYLDHFFYTIPMKQINFQSFTYPSTCVGHEGVGRAIQYLFQ
NSKQYANVKSLVTANGLKIASNPKQHREIIEKLVEEQRGIQRARLGINES
KNVFLLAPGNTKAEINFAVNLLSRSLEEFFKKPQLTNVSRDHFTIIITAD
NAQNAEFVNQAVSNTKYLKTLQTIVTTGEKEKFGAMCAADVGIPLNGELV
SECAALQLPSVIISNMNLFYAYITQLYNNFYSDINFAIQGEAYHELVSTA
ANPYKLSDEIFDLYSDPKLRYHFAERYQNVVHEMIPQANSQDNIVTTDVA
TLHGVEVQERAFTYETIAAKVLKAARAYESLDKNIPNHQIDQHRKEKLIK
AAF
Ligand information
Ligand IDUDP
InChIInChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
InChIKeyXCCTYIAWTASOJW-XVFCMESISA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O
CACTVS 3.370O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(=O)O[P](O)(O)=O)N2C=CC(=O)NC2=O
CACTVS 3.370O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(=O)O[P](O)(O)=O)N2C=CC(=O)NC2=O
OpenEye OEToolkits 1.7.0C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)O)O)O
ACDLabs 12.01O=P(O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C(O)C2O
FormulaC9 H14 N2 O12 P2
NameURIDINE-5'-DIPHOSPHATE
ChEMBLCHEMBL130266
DrugBankDB03435
ZINCZINC000004490939
PDB chain8bqs Chain A0 Residue 603 [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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PDB8bqs Structural basis of mitochondrial membrane bending by I-II-III2-IV2 supercomplex
Resolution2.9 Å
Binding residue
(original residue number in PDB)		K74 P271 D313 K345 E361 L362 E365
Binding residue
(residue number reindexed from 1)		K61 P258 D300 K332 E348 L349 E352
Annotation score3
Enzymatic activity
Enzyme Commision number 2.4.1.182: lipid-A-disaccharide synthase.
Gene Ontology
Molecular Function
GO:0005543 phospholipid binding
GO:0008915 lipid-A-disaccharide synthase activity
GO:0016757 glycosyltransferase activity
Biological Process
GO:0009245 lipid A biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:8bqs, PDBe:8bqs, PDBj:8bqs
PDBsum8bqs
PubMed
UniProtQ22E24

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