2024-12-21_00000072
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ligand
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8XJP
Crystal structure of a sulfotransferase S4 in complex with PAP and 2-Phe-br;
X-ray diffraction 1.70Å
Protein #1
296 residues (99% resolved)
Raw Sequence ...
MATVDRYLRQPWSVVHGIPMVCAFAPNWERVDNFQSRPEDIVVATFPKSGTTWVSEIVDMILQGGDPEKCKRDAIVNRVPMLEFAAPGEMPTGSEVLATMPSPRVVKSHLPAHILPKSFWDNGCKIIYVGRNAKDVAVSFYHFDLMNKFEQHPGTWDQYLEAFMAGKVAYGSWFDHVRGYWERRQEHPILYLFYEDMKEDLRREITKVAQFLGQELTEVALDAIAHHTSFEAMRDNPSTNYSTVPSHLMDHGVSPFMRKGITGDWKNHFTVAQNAHFDQYYAQKMAGTDLRFRTEI
Canonical Sequence ...
MATVDRYLRQPWSVVHGIPMVCAFAPNWERVDNFQSRPEDIVVATFPKSGTTWVSEIVDMILQGGDPEKCKRDAIVNRVPMLEFAAPGEMPTGSEVLATMPSPRVVKSHLPAHILPKSFWDNGCKIIYVGRNAKDVAVSFYHFDLMNKFEQHPGTWDQYLEAFMAGKVAYGSWFDHVRGYWERRQEHPILYLFYEDMKEDLRREITKVAQFLGQELTEVALDAIAHHTSFEAMRDNPSTNYSTVPSHLMDHGVSPFMRKGITGDWKNHFTVAQNAHFDQYYAQKMAGTDLRFRTEI
Non polymer #2
2BR
InChI=1S/C6H5BrO/c7-5-3-1-2-4-6(5)8/h1-4,8H
InChI=1S/C6H5BrO/c7-5-3-1-2-4-6(5)8/h1-4,8H
SMILES: c1ccc(c(c1)O)Br
c1ccc(c(c1)O)Br
Non polymer #3
A3P
InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(25-27(20,21)22)4(24-10)1-23-26(17,18)19/h2-4,6-7,10,16H,1H2,(H2,11,12,13)(H2,17,18,19)(H2,20,21,22)/t4-,6-,7-,10-/m1/s1
InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(25-27(20,21)22)4(24-10)1-23-26(17,18)19/h2-4,6-7,10,16H,1H2,(H2,11,12,13)(H2,17,18,19)(H2,20,21,22)/t4-,6-,7-,10-/m1/s1
SMILES: c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N
Biounit #1
monomer
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Model
Reference
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