eF-site ID 2c5v-ABCDFH
PDB Code 2c5v
Chain A, B, C, D, F, H

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Title Differential Binding Of Inhibitors To Active And Inactive Cdk2 Provides Insights For Drug Design
Classification CELL CYCLE
Compound CELL DIVISION PROTEIN KINASE 2
Source Homo sapiens (Human) (2C5V)
Sequence A:  MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTE
TEGVPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVF
EFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHS
HRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYT
HEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRR
ALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSF
PKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAA
LAHPFFQDVTKPVPHL
B:  VPDYHEDIHTYLREMEVKCKPKVGYMKKQPDITNSMRAIL
VDWLVEVGEEYKLQNETLHLAVNYIDRFLSSMSVLRGKLQ
LVGTAAMLLASKFEEIYPPEVAEFVYITDDTYTKKQVLRM
EHLVLKVLTFDLAAPTVNQFLTQYFLHQQPANCKVESLAM
FLGELSLIDADPYLKYLPSVIAGAAFHLALYTVTGQSWPE
SLIRKTGYTLESLKPCLMDLHQTYLKAPQHAQQSIREKYK
NSKYHGVSLLNPPETLNL
C:  MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTE
TEGVPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVF
EFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHS
HRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYT
HEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRR
ALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSF
PKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAA
LAHPFFQDVTKPVPHL
D:  VPDYHEDIHTYLREMEVKCKPKVGYMKKQPDITNSMRAIL
VDWLVEVGEEYKLQNETLHLAVNYIDRFLSSMSVLRGKLQ
LVGTAAMLLASKFEEIYPPEVAEFVYITDDTYTKKQVLRM
EHLVLKVLTFDLAAPTVNQFLTQYFLHQQPANCKVESLAM
FLGELSLIDADPYLKYLPSVIAGAAFHLALYTVTGQSWPE
SLIRKTGYTLESLKPCLMDLHQTYLKAPQHAQQSIREKYK
NSKYHGVSLLNPPETLNL
F:  AAXRSLIXX
H:  AAXRSLIXX
Description (1)  CELL DIVISION PROTEIN KINASE 2 (E.C.2.7.1.37), CYCLIN A2, ALA-ALA-ABA-ARG-SER-LEU-ILE-PFF-NH2


Functional site

1) chain A
residue 10
type
ligand
sequence I
description BINDING SITE FOR RESIDUE CK4 A1297
source : AC1

2) chain A
residue 31
type
ligand
sequence A
description BINDING SITE FOR RESIDUE CK4 A1297
source : AC1

3) chain A
residue 33
type
ligand
sequence K
description BINDING SITE FOR RESIDUE CK4 A1297
source : AC1

4) chain A
residue 80
type
ligand
sequence F
description BINDING SITE FOR RESIDUE CK4 A1297
source : AC1

5) chain A
residue 81
type
ligand
sequence E
description BINDING SITE FOR RESIDUE CK4 A1297
source : AC1

6) chain A
residue 83
type
ligand
sequence L
description BINDING SITE FOR RESIDUE CK4 A1297
source : AC1

7) chain A
residue 84
type
ligand
sequence H
description BINDING SITE FOR RESIDUE CK4 A1297
source : AC1

8) chain A
residue 85
type
ligand
sequence Q
description BINDING SITE FOR RESIDUE CK4 A1297
source : AC1

9) chain A
residue 86
type
ligand
sequence D
description BINDING SITE FOR RESIDUE CK4 A1297
source : AC1

10) chain A
residue 89
type
ligand
sequence K
description BINDING SITE FOR RESIDUE CK4 A1297
source : AC1

11) chain A
residue 134
type
ligand
sequence L
description BINDING SITE FOR RESIDUE CK4 A1297
source : AC1

12) chain A
residue 145
type
ligand
sequence D
description BINDING SITE FOR RESIDUE CK4 A1297
source : AC1

13) chain C
residue 10
type
ligand
sequence I
description BINDING SITE FOR RESIDUE CK4 C1297
source : AC2

14) chain C
residue 31
type
ligand
sequence A
description BINDING SITE FOR RESIDUE CK4 C1297
source : AC2

15) chain C
residue 33
type
ligand
sequence K
description BINDING SITE FOR RESIDUE CK4 C1297
source : AC2

16) chain C
residue 80
type
ligand
sequence F
description BINDING SITE FOR RESIDUE CK4 C1297
source : AC2

17) chain C
residue 81
type
ligand
sequence E
description BINDING SITE FOR RESIDUE CK4 C1297
source : AC2

18) chain C
residue 83
type
ligand
sequence L
description BINDING SITE FOR RESIDUE CK4 C1297
source : AC2

19) chain C
residue 84
type
ligand
sequence H
description BINDING SITE FOR RESIDUE CK4 C1297
source : AC2

20) chain C
residue 85
type
ligand
sequence Q
description BINDING SITE FOR RESIDUE CK4 C1297
source : AC2

21) chain C
residue 86
type
ligand
sequence D
description BINDING SITE FOR RESIDUE CK4 C1297
source : AC2

22) chain C
residue 89
type
ligand
sequence K
description BINDING SITE FOR RESIDUE CK4 C1297
source : AC2

23) chain C
residue 134
type
ligand
sequence L
description BINDING SITE FOR RESIDUE CK4 C1297
source : AC2

24) chain C
residue 145
type
ligand
sequence D
description BINDING SITE FOR RESIDUE CK4 C1297
source : AC2

25) chain A
residue 127
type ACT_SITE
ligand
sequence D
description Proton acceptor.
source Swiss-Prot : SWS_FT_FI1

26) chain A
residue 132
type METAL
ligand
sequence N
description Magnesium. {ECO:0000269|PubMed:21565702}
source Swiss-Prot : SWS_FT_FI2

27) chain A
residue 145
type METAL
ligand
sequence D
description Magnesium. {ECO:0000269|PubMed:21565702}
source Swiss-Prot : SWS_FT_FI2

28) chain A
residue 33
type BINDING
ligand
sequence K
description ATP. {ECO:0000255|PROSITE- ProRule:PRU00159, ECO:0000269|PubMed:17095507, ECO:0000269|PubMed:21565702}.
source Swiss-Prot : SWS_FT_FI3

29) chain A
residue 86
type BINDING
ligand
sequence D
description ATP. {ECO:0000255|PROSITE- ProRule:PRU00159, ECO:0000269|PubMed:17095507, ECO:0000269|PubMed:21565702}.
source Swiss-Prot : SWS_FT_FI3

30) chain A
residue 145
type BINDING
ligand
sequence D
description ATP. {ECO:0000255|PROSITE- ProRule:PRU00159, ECO:0000269|PubMed:17095507, ECO:0000269|PubMed:21565702}.
source Swiss-Prot : SWS_FT_FI3

31) chain A
residue 9
type SITE
ligand
sequence K
description CDK7 binding.
source Swiss-Prot : SWS_FT_FI4

32) chain A
residue 88-89
type SITE
ligand
sequence KK
description CDK7 binding.
source Swiss-Prot : SWS_FT_FI4

33) chain A
residue 166
type SITE
ligand
sequence L
description CDK7 binding.
source Swiss-Prot : SWS_FT_FI4

34) chain A
residue 10-18
type NP_BIND
ligand
sequence IGEGTYGVV
description ATP. {ECO:0000255|PROSITE- ProRule:PRU00159, ECO:0000269|PubMed:17095507, ECO:0000269|PubMed:21565702}.
source Swiss-Prot : SWS_FT_FI5

35) chain A
residue 81-83
type NP_BIND
ligand
sequence EFL
description ATP. {ECO:0000255|PROSITE- ProRule:PRU00159, ECO:0000269|PubMed:17095507, ECO:0000269|PubMed:21565702}.
source Swiss-Prot : SWS_FT_FI5

36) chain A
residue 129-132
type NP_BIND
ligand
sequence KPQN
description ATP. {ECO:0000255|PROSITE- ProRule:PRU00159, ECO:0000269|PubMed:17095507, ECO:0000269|PubMed:21565702}.
source Swiss-Prot : SWS_FT_FI5

37) chain C
residue 127
type ACT_SITE
ligand
sequence D
description Proton acceptor.
source Swiss-Prot : SWS_FT_FI6

38) chain C
residue 132
type METAL
ligand
sequence N
description Magnesium. {ECO:0000269|PubMed:21565702}
source Swiss-Prot : SWS_FT_FI7

39) chain C
residue 145
type METAL
ligand
sequence D
description Magnesium. {ECO:0000269|PubMed:21565702}
source Swiss-Prot : SWS_FT_FI7

40) chain C
residue 33
type BINDING
ligand
sequence K
description ATP. {ECO:0000255|PROSITE- ProRule:PRU00159, ECO:0000269|PubMed:17095507, ECO:0000269|PubMed:21565702}.
source Swiss-Prot : SWS_FT_FI8

41) chain C
residue 86
type BINDING
ligand
sequence D
description ATP. {ECO:0000255|PROSITE- ProRule:PRU00159, ECO:0000269|PubMed:17095507, ECO:0000269|PubMed:21565702}.
source Swiss-Prot : SWS_FT_FI8

42) chain C
residue 145
type BINDING
ligand
sequence D
description ATP. {ECO:0000255|PROSITE- ProRule:PRU00159, ECO:0000269|PubMed:17095507, ECO:0000269|PubMed:21565702}.
source Swiss-Prot : SWS_FT_FI8

43) chain C
residue 9
type SITE
ligand
sequence K
description CDK7 binding.
source Swiss-Prot : SWS_FT_FI9

44) chain C
residue 88-89
type SITE
ligand
sequence KK
description CDK7 binding.
source Swiss-Prot : SWS_FT_FI9

45) chain C
residue 166
type SITE
ligand
sequence L
description CDK7 binding.
source Swiss-Prot : SWS_FT_FI9

46) chain C
residue 10-18
type NP_BIND
ligand
sequence IGEGTYGVV
description ATP. {ECO:0000255|PROSITE- ProRule:PRU00159, ECO:0000269|PubMed:17095507, ECO:0000269|PubMed:21565702}.
source Swiss-Prot : SWS_FT_FI10

47) chain C
residue 81-83
type NP_BIND
ligand
sequence EFL
description ATP. {ECO:0000255|PROSITE- ProRule:PRU00159, ECO:0000269|PubMed:17095507, ECO:0000269|PubMed:21565702}.
source Swiss-Prot : SWS_FT_FI10

48) chain C
residue 129-132
type NP_BIND
ligand
sequence KPQN
description ATP. {ECO:0000255|PROSITE- ProRule:PRU00159, ECO:0000269|PubMed:17095507, ECO:0000269|PubMed:21565702}.
source Swiss-Prot : SWS_FT_FI10

49) chain A
residue 149
type catalytic
ligand
sequence A
description Mapped from 2phk to 2c5v using BLAST. All catalytic residues present. Original details record follows: a catalytic site defined by CATRES, Medline 98031892
source extCATRES : extCATRES1

50) chain A
residue 151
type catalytic
ligand
sequence A
description Mapped from 2phk to 2c5v using BLAST. All catalytic residues present. Original details record follows: a catalytic site defined by CATRES, Medline 98031892
source extCATRES : extCATRES1

51) chain A
residue 10
type binding
ligand CK4: 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE
sequence I
description 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE binding site
source pdb_hetatom : CK4_2c5v_A_1297

52) chain A
residue 12-13
type binding
ligand CK4: 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE
sequence EG
description 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE binding site
source pdb_hetatom : CK4_2c5v_A_1297

53) chain A
residue 18
type binding
ligand CK4: 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE
sequence V
description 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE binding site
source pdb_hetatom : CK4_2c5v_A_1297

54) chain A
residue 31
type binding
ligand CK4: 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE
sequence A
description 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE binding site
source pdb_hetatom : CK4_2c5v_A_1297

55) chain A
residue 33
type binding
ligand CK4: 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE
sequence K
description 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE binding site
source pdb_hetatom : CK4_2c5v_A_1297

56) chain A
residue 51
type binding
ligand CK4: 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE
sequence E
description 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE binding site
source pdb_hetatom : CK4_2c5v_A_1297

57) chain A
residue 64
type binding
ligand CK4: 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE
sequence V
description 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE binding site
source pdb_hetatom : CK4_2c5v_A_1297

58) chain A
residue 80-86
type binding
ligand CK4: 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE
sequence FEFLHQD
description 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE binding site
source pdb_hetatom : CK4_2c5v_A_1297

59) chain A
residue 89
type binding
ligand CK4: 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE
sequence K
description 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE binding site
source pdb_hetatom : CK4_2c5v_A_1297

60) chain A
residue 132
type binding
ligand CK4: 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE
sequence N
description 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE binding site
source pdb_hetatom : CK4_2c5v_A_1297

61) chain A
residue 134
type binding
ligand CK4: 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE
sequence L
description 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE binding site
source pdb_hetatom : CK4_2c5v_A_1297

62) chain A
residue 145
type binding
ligand CK4: 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE
sequence D
description 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE binding site
source pdb_hetatom : CK4_2c5v_A_1297

63) chain B
residue 210
type binding
ligand PFF: 4-FLUORO-L-PHENYLALANINE
sequence M
description 4-FLUORO-L-PHENYLALANINE binding site
source pdb_hetatom : PFF_2c5v_F_508

64) chain B
residue 213-214
type binding
ligand PFF: 4-FLUORO-L-PHENYLALANINE
sequence IL
description 4-FLUORO-L-PHENYLALANINE binding site
source pdb_hetatom : PFF_2c5v_F_508

65) chain B
residue 250
type binding
ligand PFF: 4-FLUORO-L-PHENYLALANINE
sequence R
description 4-FLUORO-L-PHENYLALANINE binding site
source pdb_hetatom : PFF_2c5v_F_508

66) chain B
residue 253-254
type binding
ligand PFF: 4-FLUORO-L-PHENYLALANINE
sequence LQ
description 4-FLUORO-L-PHENYLALANINE binding site
source pdb_hetatom : PFF_2c5v_F_508

67) chain F
residue 506-507
type binding
ligand PFF: 4-FLUORO-L-PHENYLALANINE
sequence LI
description 4-FLUORO-L-PHENYLALANINE binding site
source pdb_hetatom : PFF_2c5v_F_508

68) chain B
residue 280-281
type binding
ligand ABA: ALPHA-AMINOBUTYRIC ACID
sequence YI
description ALPHA-AMINOBUTYRIC ACID binding site
source pdb_hetatom : ABA_2c5v_F_503

69) chain B
residue 283
type binding
ligand ABA: ALPHA-AMINOBUTYRIC ACID
sequence D
description ALPHA-AMINOBUTYRIC ACID binding site
source pdb_hetatom : ABA_2c5v_F_503

70) chain F
residue 501-502
type binding
ligand ABA: ALPHA-AMINOBUTYRIC ACID
sequence AA
description ALPHA-AMINOBUTYRIC ACID binding site
source pdb_hetatom : ABA_2c5v_F_503

71) chain F
residue 504-505
type binding
ligand ABA: ALPHA-AMINOBUTYRIC ACID
sequence RS
description ALPHA-AMINOBUTYRIC ACID binding site
source pdb_hetatom : ABA_2c5v_F_503

72) chain C
residue 10
type binding
ligand CK4: 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE
sequence I
description 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE binding site
source pdb_hetatom : CK4_2c5v_C_1297

73) chain C
residue 12-13
type binding
ligand CK4: 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE
sequence EG
description 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE binding site
source pdb_hetatom : CK4_2c5v_C_1297

74) chain C
residue 18
type binding
ligand CK4: 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE
sequence V
description 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE binding site
source pdb_hetatom : CK4_2c5v_C_1297

75) chain C
residue 31
type binding
ligand CK4: 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE
sequence A
description 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE binding site
source pdb_hetatom : CK4_2c5v_C_1297

76) chain C
residue 33
type binding
ligand CK4: 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE
sequence K
description 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE binding site
source pdb_hetatom : CK4_2c5v_C_1297

77) chain C
residue 51
type binding
ligand CK4: 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE
sequence E
description 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE binding site
source pdb_hetatom : CK4_2c5v_C_1297

78) chain C
residue 64
type binding
ligand CK4: 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE
sequence V
description 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE binding site
source pdb_hetatom : CK4_2c5v_C_1297

79) chain C
residue 80-86
type binding
ligand CK4: 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE
sequence FEFLHQD
description 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE binding site
source pdb_hetatom : CK4_2c5v_C_1297

80) chain C
residue 89
type binding
ligand CK4: 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE
sequence K
description 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE binding site
source pdb_hetatom : CK4_2c5v_C_1297

81) chain C
residue 134
type binding
ligand CK4: 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE
sequence L
description 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE binding site
source pdb_hetatom : CK4_2c5v_C_1297

82) chain C
residue 144-145
type binding
ligand CK4: 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE
sequence AD
description 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE binding site
source pdb_hetatom : CK4_2c5v_C_1297

83) chain D
residue 210
type binding
ligand PFF: 4-FLUORO-L-PHENYLALANINE
sequence M
description 4-FLUORO-L-PHENYLALANINE binding site
source pdb_hetatom : PFF_2c5v_H_508

84) chain D
residue 213-214
type binding
ligand PFF: 4-FLUORO-L-PHENYLALANINE
sequence IL
description 4-FLUORO-L-PHENYLALANINE binding site
source pdb_hetatom : PFF_2c5v_H_508

85) chain D
residue 250
type binding
ligand PFF: 4-FLUORO-L-PHENYLALANINE
sequence R
description 4-FLUORO-L-PHENYLALANINE binding site
source pdb_hetatom : PFF_2c5v_H_508

86) chain D
residue 253-254
type binding
ligand PFF: 4-FLUORO-L-PHENYLALANINE
sequence LQ
description 4-FLUORO-L-PHENYLALANINE binding site
source pdb_hetatom : PFF_2c5v_H_508

87) chain H
residue 506-507
type binding
ligand PFF: 4-FLUORO-L-PHENYLALANINE
sequence LI
description 4-FLUORO-L-PHENYLALANINE binding site
source pdb_hetatom : PFF_2c5v_H_508

88) chain D
residue 217
type binding
ligand ABA: ALPHA-AMINOBUTYRIC ACID
sequence W
description ALPHA-AMINOBUTYRIC ACID binding site
source pdb_hetatom : ABA_2c5v_H_503

89) chain D
residue 280-281
type binding
ligand ABA: ALPHA-AMINOBUTYRIC ACID
sequence YI
description ALPHA-AMINOBUTYRIC ACID binding site
source pdb_hetatom : ABA_2c5v_H_503

90) chain D
residue 283
type binding
ligand ABA: ALPHA-AMINOBUTYRIC ACID
sequence D
description ALPHA-AMINOBUTYRIC ACID binding site
source pdb_hetatom : ABA_2c5v_H_503

91) chain H
residue 501-502
type binding
ligand ABA: ALPHA-AMINOBUTYRIC ACID
sequence AA
description ALPHA-AMINOBUTYRIC ACID binding site
source pdb_hetatom : ABA_2c5v_H_503

92) chain H
residue 504-505
type binding
ligand ABA: ALPHA-AMINOBUTYRIC ACID
sequence RS
description ALPHA-AMINOBUTYRIC ACID binding site
source pdb_hetatom : ABA_2c5v_H_503

93) chain A
residue 131
type catalytic
ligand
sequence Q
description Annotated By Reference To The Literature 1ir3
source CSA : CSA1

94) chain A
residue 127
type catalytic
ligand
sequence D
description Annotated By Reference To The Literature 1ir3
source CSA : CSA1

95) chain C
residue 131
type catalytic
ligand
sequence Q
description Annotated By Reference To The Literature 1ir3
source CSA : CSA2

96) chain C
residue 127
type catalytic
ligand
sequence D
description Annotated By Reference To The Literature 1ir3
source CSA : CSA2

97) chain A
residue 127
type catalytic
ligand
sequence D
description Annotated By Reference To The Literature 1ir3
source CSA : CSA3

98) chain A
residue 129
type catalytic
ligand
sequence K
description Annotated By Reference To The Literature 1ir3
source CSA : CSA3

99) chain C
residue 127
type catalytic
ligand
sequence D
description Annotated By Reference To The Literature 1ir3
source CSA : CSA4

100) chain C
residue 129
type catalytic
ligand
sequence K
description Annotated By Reference To The Literature 1ir3
source CSA : CSA4

101) chain A
residue 127
type catalytic
ligand
sequence D
description Annotated By Reference To The Literature 1ir3
source CSA : CSA5

102) chain A
residue 129
type catalytic
ligand
sequence K
description Annotated By Reference To The Literature 1ir3
source CSA : CSA5

103) chain A
residue 165
type catalytic
ligand
sequence T
description Annotated By Reference To The Literature 1ir3
source CSA : CSA5

104) chain C
residue 127
type catalytic
ligand
sequence D
description Annotated By Reference To The Literature 1ir3
source CSA : CSA6

105) chain C
residue 129
type catalytic
ligand
sequence K
description Annotated By Reference To The Literature 1ir3
source CSA : CSA6

106) chain C
residue 165
type catalytic
ligand
sequence T
description Annotated By Reference To The Literature 1ir3
source CSA : CSA6

107) chain A
residue 127
type catalytic
ligand
sequence D
description Annotated By Reference To The Literature 1ir3
source CSA : CSA7

108) chain A
residue 129
type catalytic
ligand
sequence K
description Annotated By Reference To The Literature 1ir3
source CSA : CSA7

109) chain A
residue 132
type catalytic
ligand
sequence N
description Annotated By Reference To The Literature 1ir3
source CSA : CSA7

110) chain C
residue 127
type catalytic
ligand
sequence D
description Annotated By Reference To The Literature 1ir3
source CSA : CSA8

111) chain C
residue 129
type catalytic
ligand
sequence K
description Annotated By Reference To The Literature 1ir3
source CSA : CSA8

112) chain C
residue 132
type catalytic
ligand
sequence N
description Annotated By Reference To The Literature 1ir3
source CSA : CSA8


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