2025-02-08_00000175|ligand|9BLV

Proteus vulgaris tryptophan indole-lyase complexed with L-Trp and benzimidazole; X-ray diffraction 1.78Å

Protein #1 467 residues (100% resolved)

Raw Sequence ...

MAKRIVEPFRIKMVEKIRVPSREEREAALKEAGYNPFLLPSSAVYIDLLTDSGTNAMSDHQWAAMITGDEAYAGSRNYYDLKDKAKELFNYDYIIPAHQGRGAENILFPVLLKYKQKEGKAKNPVFISNFHFDTTAAHVELNGCKAINIVTEKAFDSETYDDWKGDFDIKKLKENIAQHGADNIVAIVSTVTCNSAGGQPVSMSNLKEVYEIAKQHGIFVVMDSARFCENAYFIKARDPKYKNATIKEVIFDMYKYADALTMSAKKDPLLNIGGLVAIRDNEEIFTLARQRCVPMEGFVTYGGLAGRDMAAMVQGLEEGTEEEYLHYRIGQVKYLGDRLREAGIPIQYPTGGHAVFVDCKKLVPQIPGDQFPAQAVINALYLESGVRAVEIGSFLLGRDPATGEQKHADMEFMRLTIARRVYTNDHMDYIADALIGLKEKFATLKGLEFEYEPPVLRHFTARLKPIE

Canonical Sequence ...

Non polymer #2 0JO

InChI=1S/C11H13N2O7P/c1-6-10(14)9(4-13-7(2)11(15)16)8(3-12-6)5-20-21(17,18)19/h3-4,14H,2,5H2,1H3,(H,15,16)(H2,17,18,19)/b13-4+

SMILES: Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/C(=C)C(=O)O)O

Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/C(=C)C(=O)O)O

Non polymer #3 A1A2Z

InChI=1S/C19H22N3O7P/c1-11-18(23)15(13(8-20-11)10-29-30(26,27)28)9-22-17(19(24)25)6-12-7-21-16-5-3-2-4-14(12)16/h2-5,7-8,17,21-23H,6,9-10H2,1H3,(H,24,25)(H2,26,27,28)/t17-/m0/s1

SMILES: Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](Cc2c[nH]c3c2cccc3)C(=O)O)O

Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](Cc2c[nH]c3c2cccc3)C(=O)O)O

Non polymer #4 BZI

InChI=1S/C7H6N2/c1-2-4-7-6(3-1)8-5-9-7/h1-5H,(H,8,9)

SMILES: c1ccc2c(c1)[nH]cn2

c1ccc2c(c1)[nH]cn2

Non polymer #5 DMS

InChI=1S/C2H6OS/c1-4(2)3/h1-2H3

SMILES: CS(=O)C

CS(=O)C

Non polymer #6 K

InChI=1S/K/q+1

SMILES: [K+]

[K+]

Non polymer #7 PLT

InChI=1S/C19H20N3O7P/c1-11-18(23)15(13(8-20-11)10-29-30(26,27)28)9-22-17(19(24)25)6-12-7-21-16-5-3-2-4-14(12)16/h2-5,7-9,17,21,23H,6,10H2,1H3,(H,24,25)(H2,26,27,28)/b22-9+/t17-/m0/s1

SMILES: Cc1c(c(c(cn1)COP(=O)(O)O)C=N[C@@H](Cc2c[nH]c3c2cccc3)C(=O)O)O

Cc1c(c(c(cn1)COP(=O)(O)O)C=N[C@@H](Cc2c[nH]c3c2cccc3)C(=O)O)O

Biounit #1 homo-tetramer

Reference