Structure of PDB 6bxw Chain A Binding Site BS01

Receptor Information
>6bxw Chain A (length=267) Species: 5811 (Toxoplasma gondii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SQTVDLSCLSGTTVRFFGPSHHFGGFTPLYDPAPDKRVATVDAGANALFI
GGGGLNGQFAKTLLEEAEKHGIRLTPEELSQHSQRIQQSLLRRAVKSPGK
LVESPVFARSFGFVPVVPGLMWEESEVGPNVGVTFVHILKPEVTPYGNLN
NNVMMYTVAPSGAAPDKTYSLAYKTTIAGVIGAAAAYNDTPAGQQYPVQG
LRLPLLGGGIFRRNRSLESIGRANAEGTSLAITRYGPNFELQYMYDPSNA
ALHGLQEAESTYLASAA
Ligand information
Ligand IDAPR
InChIInChI=1S/C15H23N5O14P2/c16-12-7-13(18-3-17-12)20(4-19-7)14-10(23)8(21)5(32-14)1-30-35(26,27)34-36(28,29)31-2-6-9(22)11(24)15(25)33-6/h3-6,8-11,14-15,21-25H,1-2H2,(H,26,27)(H,28,29)(H2,16,17,18)/t5-,6-,8-,9-,10-,11-,14-,15-/m1/s1
InChIKeySRNWOUGRCWSEMX-KEOHHSTQSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=P(O)(OCC3OC(n1c2ncnc(N)c2nc1)C(O)C3O)OP(=O)(O)OCC4OC(O)C(O)C4O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)O)O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH](O)[CH](O)[CH]4O)[CH](O)[CH]3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)OC[C@H]4O[C@@H](O)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O
FormulaC15 H23 N5 O14 P2
NameADENOSINE-5-DIPHOSPHORIBOSE
ChEMBLCHEMBL1231026
DrugBank
ZINCZINC000017654550
PDB chain6bxw 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

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PDB6bxw A Toxoplasma gondii locus required for the direct manipulation of host mitochondria has maintained multiple ancestral functions.
Resolution1.65 Å
Binding residue
(original residue number in PDB)		F198 A215 G216 A217 G225 G226 L227 N228 Q230 G385 G387 I388 F389
Binding residue
(residue number reindexed from 1)		F26 A43 G44 A45 G53 G54 L55 N56 Q58 G207 G209 I210 F211
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:6bxw, PDBe:6bxw, PDBj:6bxw
PDBsum6bxw
PubMed29505111
UniProtA0A140H546|MAFB1_TOXGO Mitochondrial association factor 1 form b1 (Gene Name=MAF1b1)

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