2024-01-20_00000269|medium|8VCW

X-Ray Crystal Structure of the biotin synthase from B. obeum; X-ray diffraction 1.35Å

Protein #1 327 residues (100% resolved)

Raw Sequence ...

MNPLTLAQEIIDGRRITREDDLSFFLTCDLDELCEGADRIREACIGDKVDLCSIINGRSGRCPEDCKYCAQSAHHHTSCEVYNFLPEEKILEACKMNESEGVDRFSIVTAGKALTGKEFDQAIHAYETMHRECKIDLCASMGFISAEQLHRLHEAGVTSYHHNIETSRRNFPNICTTHTYDMKIETLKKVKAEGMCACSGGIIGMGETWEDRLDMAISLAELGIDSIPINALMPIPGTPLEHLPELSEPDILRTIAFFRYINPEANIRLAAGRALLTNDGETAFKAGASASITGNMLTTVACATIRSDRKMLADMGRDVTPEYWKEV

Canonical Sequence ...

Non polymer #2 BTB

InChI=1S/C8H19NO5/c10-3-1-9(2-4-11)8(5-12,6-13)7-14/h10-14H,1-7H2

SMILES: C(CO)N(CCO)C(CO)(CO)CO

C(CO)N(CCO)C(CO)(CO)CO

Non polymer #3 CL

InChI=1S/ClH/h1H/p-1

SMILES: [Cl-]

[Cl-]

Non polymer #4 DTB

InChI=1S/C10H18N2O3/c1-7-8(12-10(15)11-7)5-3-2-4-6-9(13)14/h7-8H,2-6H2,1H3,(H,13,14)(H2,11,12,15)/t7-,8+/m0/s1

SMILES: C[C@H]1[C@H](NC(=O)N1)CCCCCC(=O)O

C[C@H]1[C@H](NC(=O)N1)CCCCCC(=O)O

Non polymer #5 FE

InChI=1S/Fe/q+3

SMILES: [Fe+3]

[Fe+3]

Non polymer #6 Q46

InChI=1S/4Fe.H2S.4S/h;;;;1H2;;;;/q;;;+1;;4*+1/p-1

SMILES: S[Fe]12[S+]3[Fe]4[S+]1[Fe]5[S+]4[Fe]3[S+]25

S[Fe]12[S+]3[Fe]4[S+]1[Fe]5[S+]4[Fe]3[S+]25

Non polymer #7 SAM

InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27-/m0/s1

SMILES: C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O

C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O

Non polymer #8 SF4

InChI=1S/4Fe.4S

SMILES: [S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45

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

Biounit #1 monomer

Reference