eF-site ID 3f69-A
PDB Code 3f69
Chain A

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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 A:  TPSHLSDRYELGEILGFGGMSEVHLARDLRDHRDVAVKVL
RADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAET
PAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADA
CQALNFSHQNGIIHRDVKPANILISATNAVKVVDFGIARA
ITAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFT
GDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAK
NPENRYQTAAEMRADLVRVHNGEPPEAPKV
Description


Functional site

1) chain A
residue 17
type
sequence L
description BINDING SITE FOR RESIDUE XDR A 309
source : AC1

2) chain A
residue 18
type
sequence G
description BINDING SITE FOR RESIDUE XDR A 309
source : AC1

3) chain A
residue 25
type
sequence V
description BINDING SITE FOR RESIDUE XDR A 309
source : AC1

4) chain A
residue 38
type
sequence A
description BINDING SITE FOR RESIDUE XDR A 309
source : AC1

5) chain A
residue 93
type
sequence E
description BINDING SITE FOR RESIDUE XDR A 309
source : AC1

6) chain A
residue 95
type
sequence V
description BINDING SITE FOR RESIDUE XDR A 309
source : AC1

7) chain A
residue 97
type
sequence G
description BINDING SITE FOR RESIDUE XDR A 309
source : AC1

8) chain A
residue 142
type
sequence A
description BINDING SITE FOR RESIDUE XDR A 309
source : AC1

9) chain A
residue 143
type
sequence N
description BINDING SITE FOR RESIDUE XDR A 309
source : AC1

10) chain A
residue 155
type
sequence V
description BINDING SITE FOR RESIDUE XDR A 309
source : AC1

11) chain A
residue 10
type
sequence R
description BINDING SITE FOR RESIDUE SO4 A 310
source : AC2

12) chain A
residue 32
type
sequence R
description BINDING SITE FOR RESIDUE SO4 A 310
source : AC2

13) chain A
residue 256
type
sequence A
description BINDING SITE FOR RESIDUE SO4 A 311
source : AC3

14) chain A
residue 257
type
sequence K
description BINDING SITE FOR RESIDUE SO4 A 311
source : AC3

15) chain A
residue 258
type
sequence N
description BINDING SITE FOR RESIDUE SO4 A 311
source : AC3

16) chain A
residue 261
type
sequence N
description BINDING SITE FOR RESIDUE SO4 A 311
source : AC3

17) chain A
residue 17-40
type prosite
sequence LGFGGMSEVHLARDLRDHRDVAVK
description PROTEIN_KINASE_ATP Protein kinases ATP-binding region signature. LGFGGMSEVHlArdlrdhrd..........VAVK
source prosite : PS00107

18) chain A
residue 134-146
type prosite
sequence IIHRDVKPANILI
description PROTEIN_KINASE_ST Serine/Threonine protein kinases active-site signature. IiHrDVKpaNILI
source prosite : PS00108

19) chain A
residue 138
type ACT_SITE
sequence D
description Proton acceptor
source Swiss-Prot : SWS_FT_FI1

20) chain A
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

21) chain A
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

22) chain A
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

23) chain A
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

24) chain A
residue 143
type BINDING
sequence N
description
source Swiss-Prot : SWS_FT_FI3

25) chain A
residue 156
type BINDING
sequence D
description
source Swiss-Prot : SWS_FT_FI3


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