2024-02-24_00000189
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ligand
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8TWS
AvrB bound with UDP-rhamnose and RIN4 C-NOI motif;
X-ray diffraction 2.85Å
Protein #1
323 residues (91% resolved)
Raw Sequence ...
AHMGCVSSKSTTVLSPQTSFNEASRTSFRALPGPSQRQLEVYDQCLIGAARWPDDSSKSNTPENRAYCQSMYNSIRSAGDEISRGGITSFEELWGRATEWRLSKLQRGEPLYSAFASERTSDTDAVTPLVKPYKSVLARVVDHEDAHDEIMQDNLFGDLNVKVYRQTAYLHGNVIPLNTFRVATDTEYLRDRVAHLRTELGAKALKQHLQRYNPDRIDHTNASYLPIIKDHLNDLYRQAISSDLSQAELISLIARTHWWAASAMPDQRGSAAKAEFAARAIASAHGIELPPFRNGNVSDIEAMLSGEEEFVEKYRSLLDSDCF
Canonical Sequence ...
AHMGCVSSKSTTVLSPQTSFNEASRTSFRALPGPSQRQLEVYDQCLIGAARWPDDSSKSNTPENRAYCQSMYNSIRSAGDEISRGGITSFEELWGRATEWRLSKLQRGEPLYSAFASERTSDTDAVTPLVKPYKSVLARVVDHEDAHDEIMQDNLFGDLNVKVYRQTAYLHGNVIPLNTFRVATDTEYLRDRVAHLRTELGAKALKQHLQRYNPDRIDHTNASYLPIIKDHLNDLYRQAISSDLSQAELISLIARTHWWAASAMPDQRGSAAKAEFAARAIASAHGIELPPFRNGNVSDIEAMLSGEEEFVEKYRSLLDSDCF
Protein #2
30 residues (83% resolved)
Raw Sequence ...
APKFGDWDENNPSSADGYTHIFNKVRDEVD
Canonical Sequence ...
APKFGDWDENNPSSADGYTHIFNKVRDEVD
Non polymer #3
AWU
InChI=1S/C15H24N2O16P2/c1-5-8(19)10(21)12(23)14(30-5)32-35(27,28)33-34(25,26)29-4-6-9(20)11(22)13(31-6)17-3-2-7(18)16-15(17)24/h2-3,5-6,8-14,19-23H,4H2,1H3,(H,25,26)(H,27,28)(H,16,18,24)/t5-,6+,8-,9+,10+,11+,12+,13+,14+/m0/s1
InChI=1S/C15H24N2O16P2/c1-5-8(19)10(21)12(23)14(30-5)32-35(27,28)33-34(25,26)29-4-6-9(20)11(22)13(31-6)17-3-2-7(18)16-15(17)24/h2-3,5-6,8-14,19-23H,4H2,1H3,(H,25,26)(H,27,28)(H,16,18,24)/t5-,6+,8-,9+,10+,11+,12+,13+,14+/m0/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O)O)O
C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O)O)O
Biounit #1
hetero-1-1-mer
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Model
Reference
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