eF-site ID 3blr-AB
PDB Code 3blr
Chain A, B

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Title Crystal Structure of Human CDK9/cyclinT1 in complex with Flavopiridol
Classification TRANSCRIPTION
Compound Cell division protein kinase 9
Source null (CCNT1_HUMAN)
Sequence A:  SVECPFCDEVSKYEKLAKIGQGTFGEVFKARHRKTGQKVA
LKKVLMENEKEGFPITALREIKILQLLKHENVVNLIEICR
TSIYLVFDFCEHDLAGLLSNVLVKFTLSEIKRVMQMLLNG
LYYIHRNKILHRDMKAANVLITRDGVLKLADFGLARAFSL
APNRYXNRVVTLWYRPPELLLGERDYGPPIDLWGAGCIMA
EMWTRSPIMQGNTEQHQLALISQLCGSITPEVWPNVDNYE
LYEKLELVKVKDRLKAYVRDPYALDLIDKLLVLDPAQRID
SDDALNHDFFWSDPMPSDLKG
B:  NKRWYFTREQLENSPSRRFGVDPDKELSYRQQAANLLQDM
GQRLNVSQLTINTAIVYMHRFYMIQSFTRFPGNSVAPAAL
FLAAKVEGQPKKLEHVIKVAHTCLHPQESLPDTRSEAYLQ
QVQDLVILESIILQTLGFELTIDHPHTHVVKCTQLVRASK
DLAQTSYFMATNSLHLTTFSLQYTPPVVACVCIHLACKWS
NWEIPVSTDGKHWWEYVDATVTLELLDELTHELLQILEKT
PNRLKRIWNWR
Description


Functional site

1) chain B
residue 99
type
sequence K
description BINDING SITE FOR RESIDUE PO4 B 260
source : AC1

2) chain B
residue 100
type
sequence K
description BINDING SITE FOR RESIDUE PO4 B 260
source : AC1

3) chain B
residue 103
type
sequence H
description BINDING SITE FOR RESIDUE PO4 B 260
source : AC1

4) chain A
residue 141
type
sequence H
description BINDING SITE FOR RESIDUE PO4 A 331
source : AC2

5) chain A
residue 305
type
sequence D
description BINDING SITE FOR RESIDUE PO4 A 331
source : AC2

6) chain A
residue 306
type
sequence S
description BINDING SITE FOR RESIDUE PO4 A 331
source : AC2

7) chain A
residue 307
type
sequence D
description BINDING SITE FOR RESIDUE PO4 A 331
source : AC2

8) chain B
residue 250
type
sequence N
description BINDING SITE FOR RESIDUE PO4 B 261
source : AC3

9) chain B
residue 254
type
sequence R
description BINDING SITE FOR RESIDUE PO4 B 261
source : AC3

10) chain A
residue 25
type
sequence I
description BINDING SITE FOR RESIDUE CPB A 940
source : AC4

11) chain A
residue 30
type
sequence F
description BINDING SITE FOR RESIDUE CPB A 940
source : AC4

12) chain A
residue 46
type
sequence A
description BINDING SITE FOR RESIDUE CPB A 940
source : AC4

13) chain A
residue 48
type
sequence K
description BINDING SITE FOR RESIDUE CPB A 940
source : AC4

14) chain A
residue 103
type
sequence F
description BINDING SITE FOR RESIDUE CPB A 940
source : AC4

15) chain A
residue 106
type
sequence C
description BINDING SITE FOR RESIDUE CPB A 940
source : AC4

16) chain A
residue 107
type
sequence E
description BINDING SITE FOR RESIDUE CPB A 940
source : AC4

17) chain A
residue 153
type
sequence A
description BINDING SITE FOR RESIDUE CPB A 940
source : AC4

18) chain A
residue 154
type
sequence N
description BINDING SITE FOR RESIDUE CPB A 940
source : AC4

19) chain A
residue 156
type
sequence L
description BINDING SITE FOR RESIDUE CPB A 940
source : AC4

20) chain A
residue 167
type
sequence D
description BINDING SITE FOR RESIDUE CPB A 940
source : AC4

21) chain A
residue 25
type BINDING
sequence I
description BINDING => ECO:0000255|PROSITE-ProRule:PRU00159
source Swiss-Prot : SWS_FT_FI2

22) chain A
residue 48
type BINDING
sequence K
description BINDING => ECO:0000255|PROSITE-ProRule:PRU00159, ECO:0000269|PubMed:18566585
source Swiss-Prot : SWS_FT_FI3

23) chain A
residue 104
type BINDING
sequence D
description BINDING => ECO:0000255|PROSITE-ProRule:PRU00159, ECO:0000269|PubMed:18566585
source Swiss-Prot : SWS_FT_FI3

24) chain A
residue 167
type BINDING
sequence D
description BINDING => ECO:0000255|PROSITE-ProRule:PRU00159, ECO:0000269|PubMed:18566585
source Swiss-Prot : SWS_FT_FI3

25) chain A
residue 44
type MOD_RES
sequence K
description N6-acetyllysine; by EP300/CBP, PCAF/KAT2B and GCN5/KAT2A => ECO:0000269|PubMed:17452463, ECO:0000269|PubMed:18250157
source Swiss-Prot : SWS_FT_FI4

26) chain A
residue 175
type MOD_RES
sequence S
description Phosphoserine => ECO:0000269|PubMed:21533037
source Swiss-Prot : SWS_FT_FI6

27) chain A
residue 186
type MOD_RES
sequence X
description Phosphothreonine; by CaMK1D => ECO:0000269|PubMed:15965233, ECO:0000269|PubMed:18483222, ECO:0000269|PubMed:18566585, ECO:0000269|PubMed:18829461, ECO:0000269|PubMed:20535204, ECO:0000269|PubMed:20851342, ECO:0000269|PubMed:21448926, ECO:0000269|PubMed:21779453, ECO:0007744|PubMed:21406692
source Swiss-Prot : SWS_FT_FI7

28) chain A
residue 25-48
type prosite
sequence IGQGTFGEVFKARHRKTGQKVALK
description PROTEIN_KINASE_ATP Protein kinases ATP-binding region signature. IGQGTFGEVFkArhrktgqk..........VALK
source prosite : PS00107

29) chain A
residue 145-157
type prosite
sequence ILHRDMKAANVLI
description PROTEIN_KINASE_ST Serine/Threonine protein kinases active-site signature. IlHrDMKaaNVLI
source prosite : PS00108

30) chain A
residue 48
type MOD_RES
sequence K
description N6-acetyllysine; by PCAF/KAT2B and GCN5/KAT2A => ECO:0000269|PubMed:18250157, ECO:0000269|PubMed:28426094
source Swiss-Prot : SWS_FT_FI5

31) chain B
residue 117
type MOD_RES
sequence S
description Phosphoserine => ECO:0007744|PubMed:19369195
source Swiss-Prot : SWS_FT_FI1


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