2025-11-01_00000237
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ligand
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9K3O
Crystal structure of CapA2 from Alistipes finegoldii in complex with OPS-PLP external aldimine;
X-ray diffraction 1.43Å
Protein #1
435 residues (99% resolved)
Raw Sequence ...
MKDFTPTPYTLECVATGREFEDTGWMLADPQCKTPSLVRAKYARRQLEVKPDEYGFYKFCDWLPVRRMLKGSSAPVTYKSKGLARHLGLENLYITFNGYYPAIGATMSTCSFKETEAFSVCARAAEDEERVLVVASAGNTARAFAKVCSDNHIKLLLSVPYDNIEALWFEHPLNPCVKLISCEKGGDYFDAIHLSDIALKGPGFYAEGGAKNIARRDGMATTVLSAVTTIGRIPDYYFQAVGSGTGAIAAWEANMRLIEDGRFGSNTMKLMVSQNAPFVPMYDAWQAGSRKMLAYEDDKARRDAEIIDAKVLSNRRPPYGITGGLYDALKATGGEFFVATNAMARKARKLFKELEGVDIYSASGVALASLVNAVAAGKIEKDAVVMLNITGGGEEHFKEDKELWYLKPSHVFPLEPDTDDVVAKVEALFAKNIAE
Canonical Sequence ...
MKDFTPTPYTLECVATGREFEDTGWMLADPQCKTPSLVRAKYARRQLEVKPDEYGFYKFCDWLPVRRMLKGSSAPVTYKSKGLARHLGLENLYITFNGYYPAIGATMSTCSFKETEAFSVCARAAEDEERVLVVASAGNTARAFAKVCSDNHIKLLLSVPYDNIEALWFEHPLNPCVKLISCEKGGDYFDAIHLSDIALKGPGFYAEGGAKNIARRDGMATTVLSAVTTIGRIPDYYFQAVGSGTGAIAAWEANMRLIEDGRFGSNTMKLMVSQNAPFVPMYDAWQAGSRKMLAYEDDKARRDAEIIDAKVLSNRRPPYGITGGLYDALKATGGEFFVATNAMARKARKLFKELEGVDIYSASGVALASLVNAVAAGKIEKDAVVMLNITGGGEEHFKEDKELWYLKPSHVFPLEPDTDDVVAKVEALFAKNIAE
Non polymer #2
E1U
InChI=1S/C11H16N2O11P2/c1-6-10(14)8(7(2-12-6)4-23-25(17,18)19)3-13-9(11(15)16)5-24-26(20,21)22/h2-3,9,14H,4-5H2,1H3,(H,15,16)(H2,17,18,19)(H2,20,21,22)/t9-/m0/s1
InChI=1S/C11H16N2O11P2/c1-6-10(14)8(7(2-12-6)4-23-25(17,18)19)3-13-9(11(15)16)5-24-26(20,21)22/h2-3,9,14H,4-5H2,1H3,(H,15,16)(H2,17,18,19)(H2,20,21,22)/t9-/m0/s1
SMILES: Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H](COP(=O)(O)O)C(=O)O)O
Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H](COP(=O)(O)O)C(=O)O)O
Biounit #1
monomer
Download coordinates
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Model
Reference
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