eF-site ID 3f69-B PDB Code 3f69 Chain B click to enlarge Title Crystal structure of the Mycobacterium tuberculosis PknB mutant kinase domain in complex with KT5720 Classification TRANSFERASE Compound Serine/threonine-protein kinase pknB Source (PKNB_MYCTU) Sequence B:  TTPSHLSDRYELGEILGFGGMSEVHLARDLRDHRDVAVKV LRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAE TPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIAD ACQALNFSHQNGIIHRDVKPANILISATNAVKVVDFGIAR AIADSGNSVXQTIGTAQYLSPEQARGDSVDARSDVYSLGC VLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLS ADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEA PKV Description Functional site 1) chain B residue 17 type sequence L description BINDING SITE FOR RESIDUE XDR B 309 source : AC4 2) chain B residue 18 type sequence G description BINDING SITE FOR RESIDUE XDR B 309 source : AC4 3) chain B residue 38 type sequence A description BINDING SITE FOR RESIDUE XDR B 309 source : AC4 4) chain B residue 40 type sequence K description BINDING SITE FOR RESIDUE XDR B 309 source : AC4 5) chain B residue 93 type sequence E description BINDING SITE FOR RESIDUE XDR B 309 source : AC4 6) chain B residue 95 type sequence V description BINDING SITE FOR RESIDUE XDR B 309 source : AC4 7) chain B residue 99 type sequence T description BINDING SITE FOR RESIDUE XDR B 309 source : AC4 8) chain B residue 142 type sequence A description BINDING SITE FOR RESIDUE XDR B 309 source : AC4 9) chain B residue 143 type sequence N description BINDING SITE FOR RESIDUE XDR B 309 source : AC4 10) chain B residue 145 type sequence L description BINDING SITE FOR RESIDUE XDR B 309 source : AC4 11) chain B residue 155 type sequence V description BINDING SITE FOR RESIDUE XDR B 309 source : AC4 12) chain B residue 156 type sequence D description BINDING SITE FOR RESIDUE XDR B 309 source : AC4 13) chain B residue 32 type sequence R description BINDING SITE FOR RESIDUE SO4 B 310 source : AC5 14) chain B residue 256 type sequence A description BINDING SITE FOR RESIDUE SO4 B 311 source : AC6 15) chain B residue 257 type sequence K description BINDING SITE FOR RESIDUE SO4 B 311 source : AC6 16) chain B residue 258 type sequence N description BINDING SITE FOR RESIDUE SO4 B 311 source : AC6 17) chain B residue 261 type sequence N description BINDING SITE FOR RESIDUE SO4 B 311 source : AC6 18) chain B residue 166 type MOD_RES sequence S description Phosphoserine; by autocatalysis => ECO:0000269|PubMed:12548283, ECO:0000269|PubMed:15967413 source Swiss-Prot : SWS_FT_FI5 19) chain B residue 169 type MOD_RES sequence S description Phosphoserine; by autocatalysis => ECO:0000269|PubMed:12548283 source Swiss-Prot : SWS_FT_FI6 20) chain B residue 171 type MOD_RES sequence X description Phosphothreonine; by autocatalysis => ECO:0000269|PubMed:12548283, ECO:0000269|PubMed:12950916, ECO:0000269|PubMed:15967413, ECO:0000269|PubMed:15985609, ECO:0000269|PubMed:19008858 source Swiss-Prot : SWS_FT_FI7 21) chain B residue 173 type MOD_RES sequence T description Phosphothreonine; by autocatalysis => ECO:0000269|PubMed:12548283, ECO:0000269|PubMed:12950916, ECO:0000269|PubMed:15967413, ECO:0000269|PubMed:15985609 source Swiss-Prot : SWS_FT_FI8 22) chain B residue 138 type ACT_SITE sequence D description Proton acceptor source Swiss-Prot : SWS_FT_FI1 23) chain B residue 17 type BINDING sequence L description BINDING => ECO:0000255|PROSITE-ProRule:PRU00159, ECO:0000269|PubMed:12548283, ECO:0000269|PubMed:12551895 source Swiss-Prot : SWS_FT_FI2 24) chain B residue 40 type BINDING sequence K description BINDING => ECO:0000255|PROSITE-ProRule:PRU00159, ECO:0000269|PubMed:12548283, ECO:0000269|PubMed:12551895 source Swiss-Prot : SWS_FT_FI2 25) chain B residue 93 type BINDING sequence E description BINDING => ECO:0000255|PROSITE-ProRule:PRU00159, ECO:0000269|PubMed:12548283, ECO:0000269|PubMed:12551895 source Swiss-Prot : SWS_FT_FI2 26) chain B residue 140 type BINDING sequence K description BINDING => ECO:0000255|PROSITE-ProRule:PRU00159, ECO:0000269|PubMed:12548283, ECO:0000269|PubMed:12551895 source Swiss-Prot : SWS_FT_FI2 27) chain B residue 143 type BINDING sequence N description source Swiss-Prot : SWS_FT_FI3 28) chain B residue 156 type BINDING sequence D description source Swiss-Prot : SWS_FT_FI3 29) chain B residue 2 type MOD_RES sequence T description N-acetylthreonine => ECO:0007744|PubMed:21969609 source Swiss-Prot : SWS_FT_FI4

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