eF-site ID 4epv-A
PDB Code 4epv
Chain A

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Title Discovery of Small Molecules that Bind to K-Ras and Inhibit Sos-mediated Activation
Classification HYDROLASE
Compound GTPase KRas
Source Homo sapiens (Human) (RASK_HUMAN)
Sequence A:  GMTEYKLVVVGAGGVGKSALTIQLIQNHFVDEYDPTIEDS
YRKQVVIDGETCLLDILDTAGQEEYSAMRDQYMRTGEGFL
CVFAINNTKSFEDIHHYREQIKRVKDSEDVPMVLVGNKSD
LPSRTVDTKQAQDLARSYGIPFIETSAKTRQGVDDAFYTL
VREIRKHKEK
Description (1)  GTPase KRas (E.C.3.6.5.2)


Functional site

1) chain A
residue 13
type
ligand
sequence G
description BINDING SITE FOR RESIDUE GDP A 201
source : AC1

2) chain A
residue 14
type
ligand
sequence V
description BINDING SITE FOR RESIDUE GDP A 201
source : AC1

3) chain A
residue 15
type
ligand
sequence G
description BINDING SITE FOR RESIDUE GDP A 201
source : AC1

4) chain A
residue 16
type
ligand
sequence K
description BINDING SITE FOR RESIDUE GDP A 201
source : AC1

5) chain A
residue 17
type
ligand
sequence S
description BINDING SITE FOR RESIDUE GDP A 201
source : AC1

6) chain A
residue 18
type
ligand
sequence A
description BINDING SITE FOR RESIDUE GDP A 201
source : AC1

7) chain A
residue 28
type
ligand
sequence F
description BINDING SITE FOR RESIDUE GDP A 201
source : AC1

8) chain A
residue 30
type
ligand
sequence D
description BINDING SITE FOR RESIDUE GDP A 201
source : AC1

9) chain A
residue 32
type
ligand
sequence Y
description BINDING SITE FOR RESIDUE GDP A 201
source : AC1

10) chain A
residue 116
type
ligand
sequence N
description BINDING SITE FOR RESIDUE GDP A 201
source : AC1

11) chain A
residue 117
type
ligand
sequence K
description BINDING SITE FOR RESIDUE GDP A 201
source : AC1

12) chain A
residue 119
type
ligand
sequence D
description BINDING SITE FOR RESIDUE GDP A 201
source : AC1

13) chain A
residue 120
type
ligand
sequence L
description BINDING SITE FOR RESIDUE GDP A 201
source : AC1

14) chain A
residue 145
type
ligand
sequence S
description BINDING SITE FOR RESIDUE GDP A 201
source : AC1

15) chain A
residue 146
type
ligand
sequence A
description BINDING SITE FOR RESIDUE GDP A 201
source : AC1

16) chain A
residue 147
type
ligand
sequence K
description BINDING SITE FOR RESIDUE GDP A 201
source : AC1

17) chain A
residue 17
type
ligand
sequence S
description BINDING SITE FOR RESIDUE MG A 202
source : AC2

18) chain A
residue 6
type
ligand
sequence L
description BINDING SITE FOR RESIDUE 0QX A 203
source : AC3

19) chain A
residue 7
type
ligand
sequence V
description BINDING SITE FOR RESIDUE 0QX A 203
source : AC3

20) chain A
residue 37
type
ligand
sequence E
description BINDING SITE FOR RESIDUE 0QX A 203
source : AC3

21) chain A
residue 39
type
ligand
sequence S
description BINDING SITE FOR RESIDUE 0QX A 203
source : AC3

22) chain A
residue 54
type
ligand
sequence D
description BINDING SITE FOR RESIDUE 0QX A 203
source : AC3

23) chain A
residue 71
type
ligand
sequence Y
description BINDING SITE FOR RESIDUE 0QX A 203
source : AC3

24) chain A
residue 11-18
type NP_BIND
ligand
sequence AGGVGKSA
description GTP.
source Swiss-Prot : SWS_FT_FI1

25) chain A
residue 58-62
type NP_BIND
ligand
sequence TAGQE
description GTP.
source Swiss-Prot : SWS_FT_FI1

26) chain A
residue 117-120
type NP_BIND
ligand
sequence KSDL
description GTP.
source Swiss-Prot : SWS_FT_FI1

27) chain A
residue 5-7
type binding
ligand 0QX: 2-(1H-INDOL-3-YLMETHYL)-1H-IMIDAZO[4,5-C]PYRIDINE
sequence KLV
description 2-(1H-INDOL-3-YLMETHYL)-1H-IMIDAZO[4,5-C]PYRIDINE binding site
source pdb_hetatom : 0QX_4epv_A_203

28) chain A
residue 37-39
type binding
ligand 0QX: 2-(1H-INDOL-3-YLMETHYL)-1H-IMIDAZO[4,5-C]PYRIDINE
sequence EDS
description 2-(1H-INDOL-3-YLMETHYL)-1H-IMIDAZO[4,5-C]PYRIDINE binding site
source pdb_hetatom : 0QX_4epv_A_203

29) chain A
residue 54-56
type binding
ligand 0QX: 2-(1H-INDOL-3-YLMETHYL)-1H-IMIDAZO[4,5-C]PYRIDINE
sequence DIL
description 2-(1H-INDOL-3-YLMETHYL)-1H-IMIDAZO[4,5-C]PYRIDINE binding site
source pdb_hetatom : 0QX_4epv_A_203

30) chain A
residue 62
type binding
ligand 0QX: 2-(1H-INDOL-3-YLMETHYL)-1H-IMIDAZO[4,5-C]PYRIDINE
sequence E
description 2-(1H-INDOL-3-YLMETHYL)-1H-IMIDAZO[4,5-C]PYRIDINE binding site
source pdb_hetatom : 0QX_4epv_A_203

31) chain A
residue 71
type binding
ligand 0QX: 2-(1H-INDOL-3-YLMETHYL)-1H-IMIDAZO[4,5-C]PYRIDINE
sequence Y
description 2-(1H-INDOL-3-YLMETHYL)-1H-IMIDAZO[4,5-C]PYRIDINE binding site
source pdb_hetatom : 0QX_4epv_A_203

32) chain A
residue 74-75
type binding
ligand 0QX: 2-(1H-INDOL-3-YLMETHYL)-1H-IMIDAZO[4,5-C]PYRIDINE
sequence TG
description 2-(1H-INDOL-3-YLMETHYL)-1H-IMIDAZO[4,5-C]PYRIDINE binding site
source pdb_hetatom : 0QX_4epv_A_203

33) chain A
residue 11-18
type binding
ligand GDP: GUANOSINE-5'-DIPHOSPHATE
sequence AGGVGKSA
description GUANOSINE-5'-DIPHOSPHATE binding site
source pdb_hetatom : GDP_4epv_A_201

34) chain A
residue 28-32
type binding
ligand GDP: GUANOSINE-5'-DIPHOSPHATE
sequence FVDEY
description GUANOSINE-5'-DIPHOSPHATE binding site
source pdb_hetatom : GDP_4epv_A_201

35) chain A
residue 34
type binding
ligand GDP: GUANOSINE-5'-DIPHOSPHATE
sequence P
description GUANOSINE-5'-DIPHOSPHATE binding site
source pdb_hetatom : GDP_4epv_A_201

36) chain A
residue 57
type binding
ligand GDP: GUANOSINE-5'-DIPHOSPHATE
sequence D
description GUANOSINE-5'-DIPHOSPHATE binding site
source pdb_hetatom : GDP_4epv_A_201

37) chain A
residue 116-120
type binding
ligand GDP: GUANOSINE-5'-DIPHOSPHATE
sequence NKSDL
description GUANOSINE-5'-DIPHOSPHATE binding site
source pdb_hetatom : GDP_4epv_A_201

38) chain A
residue 144-147
type binding
ligand GDP: GUANOSINE-5'-DIPHOSPHATE
sequence TSAK
description GUANOSINE-5'-DIPHOSPHATE binding site
source pdb_hetatom : GDP_4epv_A_201


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