2026-01-24_00000181|medium|9N1B

Crystal structure of CysS from Corallococcus sp. CA054B with 5'-deoxyadenosine, methionine, and pantetheinylated 3-methoxyl-4-amino benzoic acid substrate bound; X-ray diffraction 1.75Å
Protein #1 645 residues (97% resolved)

MGAMVNQRVAFIELTVFAGVYPLASGYMRGVAEQNAAIKDACSFEIHSICINDNRFEDRLNAIDADVYAISCYVWNMGFVKRWLPTLTARKPHAHVILGGPQVMNHGARYLDPGNERVVLCNGEGEYTFANYLAEICSPEPDLGKVKGLTFYRNGELITSAPQERIQDLNAIPSPYLEGYFDSEKYVWAPIETNRGCPYQCTYCFWGAATNSRVFKTDMDRVKAEITWLSQRRAFYIFITDANFGMLTRDIEIAQHIAECKRKYGYPLTVWLSAAKNSPDRVTQITRILSQEGLISTQPVSLQTMDANTLKSVKRGNIKESAYLNLQEELRRSKLSSFVEMIWPLPGETLETFKEGIGKLCSYEADAILIHHLLLINNVPMNAQREEFNLEVSNDEDPNSEAQVVVATRDVTREEYKEGVRFGYHLTSLYSLRALQFVGKYLDKQGLLAFKDLISSFSDYCKRFPDHPYTQYISSIIDGSSQSKFSANGGIFHVTLHEFRREFDQLLAGFLQSLGMMHTEPLEFLFDLDLLNRPHVYSNTPVTNGDGLLKHVTVVAKEKDALVVHIPEKYVQLAWEMLRLDGAPSTRMRVKYRGAQMPFMANKPYEDNLSYCEAKLHKMGSILPVWEPAVPSIAPVRRPQVAVAS

MGAMVNQRVAFIELTVFAGVYPLASGYMRGVAEQNAAIKDACSFEIHSICINDNRFEDRLNAIDADVYAISCYVWNMGFVKRWLPTLTARKPHAHVILGGPQVMNHGARYLDPGNERVVLCNGEGEYTFANYLAEICSPEPDLGKVKGLTFYRNGELITSAPQERIQDLNAIPSPYLEGYFDSEKYVWAPIETNRGCPYQCTYCFWGAATNSRVFKTDMDRVKAEITWLSQRRAFYIFITDANFGMLTRDIEIAQHIAECKRKYGYPLTVWLSAAKNSPDRVTQITRILSQEGLISTQPVSLQTMDANTLKSVKRGNIKESAYLNLQEELRRSKLSSFVEMIWPLPGETLETFKEGIGKLCSYEADAILIHHLLLINNVPMNAQREEFNLEVSNDEDPNSEAQVVVATRDVTREEYKEGVRFGYHLTSLYSLRALQFVGKYLDKQGLLAFKDLISSFSDYCKRFPDHPYTQYISSIIDGSSQSKFSANGGIFHVTLHEFRREFDQLLAGFLQSLGMMHTEPLEFLFDLDLLNRPHVYSNTPVTNGDGLLKHVTVVAKEKDALVVHIPEKYVQLAWEMLRLDGAPSTRMRVKYRGAQMPFMANKPYEDNLSYCEAKLHKMGSILPVWEPAVPSIAPVRRPQVAVAS
Non polymer #2 5AD

InChI=1S/C10H13N5O3/c1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15/h2-4,6-7,10,16-17H,1H3,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1

C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O
Non polymer #3 A1BUN

InChI=1S/C19H29N3O7/c1-19(2,11-23)16(25)17(26)22-7-6-15(24)21-8-9-29-18(27)12-4-5-13(20)14(10-12)28-3/h4-5,10,16,23,25H,6-9,11,20H2,1-3H3,(H,21,24)(H,22,26)/t16-/m0/s1

CC(C)(CO)[C@H](C(=O)NCCC(=O)NCCOC(=O)c1ccc(c(c1)OC)N)O
Non polymer #4 B12

InChI=1S/C62H90N13O14P.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;/h20-21,23,28,31,34-37,41,52-53,56-57,72,76,84H,12-19,22,24-27H2,1-11H3,(H2,63,77)(H2,64,78)(H2,65,79)(H2,66,80)(H2,67,81)(H2,68,82)(H,69,83)(H,85,86);/q;+2/b42-23-,50-32-,55-33-;/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;/m1./s1

Cc1cc2c(cc1C)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C7=[N]6[Co+2]89[N]5=C4C(=C1[NH]8C(=CC2=[N]9C(=C7C)C(C2CCC(=O)N)(C)CC(=O)N)C(C1CCC(=O)N)(C)C)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O
Non polymer #5 MET

InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1

CSCC[C@@H](C(=O)O)N
Non polymer #6 MG

InChI=1S/Mg/q+2

[Mg+2]
Non polymer #7 SF4

InChI=1S/4Fe.4S

[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45
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Reference