2026-09-19_00000272
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ligand
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9ZB2
Crystal structure of human MGAT1 in complex with TNG-9333 and UDP.;
X-ray diffraction 2.01Å
Protein #1
356 residues (97% resolved)
Raw Sequence ...
MHHHHHHENLYFQGAVIPILVIACDRSTVRRCLDKLLHYRPSAELFPIIVSQDCGHEETAQAIASYGSAVTHIRQPDLSSIAVPPDHRKFQGYYKIARHYRWALGQVFRQFRFPAAVVVEDDLEVAPDFFEYFRATYPLLKADPSLWCVSAWNDNGKEQMVDASRPELLYRTDFFPGLGWLLLAELWAELEPKWPKAFWDDWMRRPEQRQGRACIRPEISRTMTFGRKGVSHGQFFDQHLKFIKLNQQFVHFTQLDLSYLQREAYDRDFLARVYGAPQLQVEKVRTNDRKELGEVRVQYTGRDSFKAFAKALGVMDDLKSGVPRAGYRGIVTFQFRGRRVHLAPPLTWEGYDPSWN
Canonical Sequence ...
MHHHHHHENLYFQGAVIPILVIACDRSTVRRCLDKLLHYRPSAELFPIIVSQDCGHEETAQAIASYGSAVTHIRQPDLSSIAVPPDHRKFQGYYKIARHYRWALGQVFRQFRFPAAVVVEDDLEVAPDFFEYFRATYPLLKADPSLWCVSAWNDNGKEQMVDASRPELLYRTDFFPGLGWLLLAELWAELEPKWPKAFWDDWMRRPEQRQGRACIRPEISRTMTFGRKGVSHGQFFDQHLKFIKLNQQFVHFTQLDLSYLQREAYDRDFLARVYGAPQLQVEKVRTNDRKELGEVRVQYTGRDSFKAFAKALGVMDDLKSGVPRAGYRGIVTFQFRGRRVHLAPPLTWEGYDPSWN
Non polymer #2
A1C1W
InChI=1S/C23H25N5O3/c1-14(29)28(2)21-11-15(10-16(13-24)25-21)26-23(30)19-12-22(31-17-6-5-7-17)27-20-9-4-3-8-18(19)20/h3-4,8-12,17H,5-7,13,24H2,1-2H3,(H,25,26,30)
InChI=1S/C23H25N5O3/c1-14(29)28(2)21-11-15(10-16(13-24)25-21)26-23(30)19-12-22(31-17-6-5-7-17)27-20-9-4-3-8-18(19)20/h3-4,8-12,17H,5-7,13,24H2,1-2H3,(H,25,26,30)
SMILES: CC(=O)N(C)c1cc(cc(n1)CN)NC(=O)c2cc(nc3c2cccc3)OC4CCC4
CC(=O)N(C)c1cc(cc(n1)CN)NC(=O)c2cc(nc3c2cccc3)OC4CCC4
Non polymer #3
EDO
InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
SMILES: C(CO)O
C(CO)O
Non polymer #4
MN
InChI=1S/Mn/q+2
InChI=1S/Mn/q+2
SMILES: [Mn+2]
[Mn+2]
Non polymer #5
UDP
InChI=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
InChI=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
SMILES: C1=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
C1=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
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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