2026-01-17_00000160
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ligand
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9L8H
The structure of HitB-HitD complex with a C4 pantetheine cross-linking probe;
X-ray diffraction 1.85Å
Protein #1
549 residues (91% resolved)
Raw Sequence ...
MNHKVHHHHHHIEGRHMRVISNGRRAARARESVDNLYWFMLAAANSAPDTPAFVTRDGEGGVRTLSYRELRTRVDDFAAALAELGLDVDDRVVLEANVTPDAVAMLLACSLLGLPFIPVSPETPSGRLRSILDTAEPALFAQAEDGGRADVPATVGTARFGAGGLRVERAPRARVRHRREIVGTDTAYIIFTSGTTGRPKGVVMSHRSVVSLYRAILEQGLITPEDRIATTSPLQFCFALFDIGLALGTGAALVPVPREELNWPRRFLAFLGDTGATQVHGVPSIWRPVLRHEPELLAGLDRVRGILFTGEDFPLPELRHLQGLLPHARIVNGYGATESMACSFTEVPRPIPSDLERLSIGFPLPGFDVSLLDEHGRPVEEIGVAGQIHLRAPSMFSGYWDDPEATARVLVSDPLDPRSGRTVLRSGDLAYRGEDGELYFAGRVDAQVQIRGNRVEPGEVERRLLEFPGISAAVALLVPRPGNDPVLHAFVVVEPGGADFDKAKARAFCADTLPGYMIPANIVAVDDIPLTVNGKVDRADLATRVAGPF
Canonical Sequence ...
MNHKVHHHHHHIEGRHMRVISNGRRAARARESVDNLYWFMLAAANSAPDTPAFVTRDGEGGVRTLSYRELRTRVDDFAAALAELGLDVDDRVVLEANVTPDAVAMLLACSLLGLPFIPVSPETPSGRLRSILDTAEPALFAQAEDGGRADVPATVGTARFGAGGLRVERAPRARVRHRREIVGTDTAYIIFTSGTTGRPKGVVMSHRSVVSLYRAILEQGLITPEDRIATTSPLQFCFALFDIGLALGTGAALVPVPREELNWPRRFLAFLGDTGATQVHGVPSIWRPVLRHEPELLAGLDRVRGILFTGEDFPLPELRHLQGLLPHARIVNGYGATESMACSFTEVPRPIPSDLERLSIGFPLPGFDVSLLDEHGRPVEEIGVAGQIHLRAPSMFSGYWDDPEATARVLVSDPLDPRSGRTVLRSGDLAYRGEDGELYFAGRVDAQVQIRGNRVEPGEVERRLLEFPGISAAVALLVPRPGNDPVLHAFVVVEPGGADFDKAKARAFCADTLPGYMIPANIVAVDDIPLTVNGKVDRADLATRVAGPF
Protein #2
98 residues (80% resolved)
Raw Sequence ...
MNHKVHHHHHHIEGRHMWDDQFEAIVRRYVPFLGPDERLGGGSELRDLGLDSMGTVELLAALEQAYGARFVDDALNMENFATPDALWATLSRMITSAA
Canonical Sequence ...
MNHKVHHHHHHIEGRHMWDDQFEAIVRRYVPFLGPDERLGGGSELRDLGLDSMGTVELLAALEQAYGARFVDDALNMENFATPDALWATLSRMITSAA
Non polymer #3
A1L7C
InChI=1S/C15H30N3O8P/c1-11(19)16-7-4-5-8-17-12(20)6-9-18-14(22)13(21)15(2,3)10-26-27(23,24)25/h13,21H,4-10H2,1-3H3,(H,16,19)(H,17,20)(H,18,22)(H2,23,24,25)/t13-/m0/s1
InChI=1S/C15H30N3O8P/c1-11(19)16-7-4-5-8-17-12(20)6-9-18-14(22)13(21)15(2,3)10-26-27(23,24)25/h13,21H,4-10H2,1-3H3,(H,16,19)(H,17,20)(H,18,22)(H2,23,24,25)/t13-/m0/s1
SMILES: CC(=O)NCCCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O
CC(=O)NCCCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O
Non polymer #4
ADP
InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
SMILES: c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N
Biounit #1
hetero-1-1-mer
Download coordinates
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Model
Reference
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