2025-11-22_00000033
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medium
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9EED
The Hanks-type kinase PknS from Xanthomonas citri bound to CHIR-124;
X-ray diffraction 2.10Å
Protein #1
364 residues (75% resolved)
Raw Sequence ...
SMSLAATAWQRLEALFHRACQLPAAEREAFARAQAGDDASLRDDLLAMLAVESQATLRVRAPLKQAVAALRAPLPELPAGTRFGAWAIDRLIGAGGMGQVYLGHRADGAYEREVAIKLVAADALDAQGRALFEFECRLLAQMVHPAIAQIHDVGTDAHGQPYLVAEYLRGEPITWWCDEHRLSLHARVLLMLRVGEAVQHAHQKGVIHRDLKPSNVLVSEIDGRPMPGVIDFGIAVDATNPGMTYAHDRGTPGYMSPEQARGAQDVDARSDIYALGAMFYELSCGLAPVAGRDGVPQPPSQRVAAVPADARARICAARATTYQKLHEQLRDGLDAIVLRALEPQPGARYASVSALLDDLHRWLD
Canonical Sequence ...
SMSLAATAWQRLEALFHRACQLPAAEREAFARAQAGDDASLRDDLLAMLAVESQATLRVRAPLKQAVAALRAPLPELPAGTRFGAWAIDRLIGAGGMGQVYLGHRADGAYEREVAIKLVAADALDAQGRALFEFECRLLAQMVHPAIAQIHDVGTDAHGQPYLVAEYLRGEPITWWCDEHRLSLHARVLLMLRVGEAVQHAHQKGVIHRDLKPSNVLVSEIDGRPMPGVIDFGIAVDATNPGMTYAHDRGTPGYMSPEQARGAQDVDARSDIYALGAMFYELSCGLAPVAGRDGVPQPPSQRVAAVPADARARICAARATTYQKLHEQLRDGLDAIVLRALEPQPGARYASVSALLDDLHRWLD
Non polymer #2
12C
InChI=1S/C23H22ClN5O/c24-14-5-6-16-15(11-14)21(25-19-12-29-9-7-13(19)8-10-29)20(23(30)28-16)22-26-17-3-1-2-4-18(17)27-22/h1-6,11,13,19H,7-10,12H2,(H,26,27)(H2,25,28,30)/t19-/m1/s1
InChI=1S/C23H22ClN5O/c24-14-5-6-16-15(11-14)21(25-19-12-29-9-7-13(19)8-10-29)20(23(30)28-16)22-26-17-3-1-2-4-18(17)27-22/h1-6,11,13,19H,7-10,12H2,(H,26,27)(H2,25,28,30)/t19-/m1/s1
SMILES: c1ccc2c(c1)[nH]c(n2)C3=C(c4cc(ccc4NC3=O)Cl)N[C@@H]5CN6CCC5CC6
c1ccc2c(c1)[nH]c(n2)C3=C(c4cc(ccc4NC3=O)Cl)N[C@@H]5CN6CCC5CC6
Biounit #1
monomer
Download coordinates
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Model
Reference
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