eF-site ID 2jjn-A
PDB Code 2jjn
Chain A

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Title Structure of closed cytochrome P450 EryK
Classification OXIDOREDUCTASE
Compound CYTOCHROME P450 113A1
Source Saccharopolyspora erythraea (strain NRRL 23338) (CPXQ_SACEN)
Sequence A:  TIDEVPGMADETALLDWLGTMREKQPVWQDRYGVWHVFRH
ADVQTVLRDTATFSSDPTRVIEGASPTPGMIHEIDPPEHR
ALRKVVSSAFTPRTISDLEPRIRDVTRSLLADAGESFDLV
DVLAFPLPVTIVAELLGLPPMDHEQFGDWSGALVDIQMDD
PTDPALAERIADVLNPLTAYLKARCAERRADPGDDLISRL
VLAEVDGRALDDEEAANFSTALLLAGHITTTVLLGNIVRT
LDEHPAHWDAAAEDPGRIPAIVEEVLRYRPPFPQMQRTTT
KATEVAGVPIPADVMVNTWVLSANRDSDAHDDPDRFDPSR
KSGGAAQLSFGHGVHFCLGAPLARLENRVALEEIIARFGR
LTVDRDDERLRHFEQIVLGTRHLPVLAGSSPRQSA
Description (1)  CYTOCHROME P450 113A1 (E.C.1.14.-.-)


Functional site

1) chain A
residue 87
type
ligand
sequence I
description BINDING SITE FOR RESIDUE HEM A 412
source : AC1

2) chain A
residue 88
type
ligand
sequence H
description BINDING SITE FOR RESIDUE HEM A 412
source : AC1

3) chain A
residue 95
type
ligand
sequence H
description BINDING SITE FOR RESIDUE HEM A 412
source : AC1

4) chain A
residue 99
type
ligand
sequence R
description BINDING SITE FOR RESIDUE HEM A 412
source : AC1

5) chain A
residue 106
type
ligand
sequence F
description BINDING SITE FOR RESIDUE HEM A 412
source : AC1

6) chain A
residue 238
type
ligand
sequence L
description BINDING SITE FOR RESIDUE HEM A 412
source : AC1

7) chain A
residue 241
type
ligand
sequence A
description BINDING SITE FOR RESIDUE HEM A 412
source : AC1

8) chain A
residue 242
type
ligand
sequence G
description BINDING SITE FOR RESIDUE HEM A 412
source : AC1

9) chain A
residue 245
type
ligand
sequence T
description BINDING SITE FOR RESIDUE HEM A 412
source : AC1

10) chain A
residue 246
type
ligand
sequence T
description BINDING SITE FOR RESIDUE HEM A 412
source : AC1

11) chain A
residue 249
type
ligand
sequence L
description BINDING SITE FOR RESIDUE HEM A 412
source : AC1

12) chain A
residue 291
type
ligand
sequence M
description BINDING SITE FOR RESIDUE HEM A 412
source : AC1

13) chain A
residue 293
type
ligand
sequence R
description BINDING SITE FOR RESIDUE HEM A 412
source : AC1

14) chain A
residue 345
type
ligand
sequence S
description BINDING SITE FOR RESIDUE HEM A 412
source : AC1

15) chain A
residue 346
type
ligand
sequence F
description BINDING SITE FOR RESIDUE HEM A 412
source : AC1

16) chain A
residue 347
type
ligand
sequence G
description BINDING SITE FOR RESIDUE HEM A 412
source : AC1

17) chain A
residue 351
type
ligand
sequence H
description BINDING SITE FOR RESIDUE HEM A 412
source : AC1

18) chain A
residue 353
type
ligand
sequence C
description BINDING SITE FOR RESIDUE HEM A 412
source : AC1

19) chain A
residue 355
type
ligand
sequence G
description BINDING SITE FOR RESIDUE HEM A 412
source : AC1

20) chain A
residue 358
type
ligand
sequence L
description BINDING SITE FOR RESIDUE HEM A 412
source : AC1

21) chain A
residue 359
type
ligand
sequence A
description BINDING SITE FOR RESIDUE HEM A 412
source : AC1

22) chain A
residue 381
type
ligand
sequence R
description BINDING SITE FOR RESIDUE SO4 A 413
source : AC2

23) chain A
residue 385
type
ligand
sequence R
description BINDING SITE FOR RESIDUE SO4 A 413
source : AC2

24) chain A
residue 386
type
ligand
sequence L
description BINDING SITE FOR RESIDUE SO4 A 413
source : AC2

25) chain A
residue 388
type
ligand
sequence H
description BINDING SITE FOR RESIDUE SO4 A 413
source : AC2

26) chain A
residue 326
type
ligand
sequence H
description BINDING SITE FOR RESIDUE SO4 A 414
source : AC3

27) chain A
residue 327
type
ligand
sequence D
description BINDING SITE FOR RESIDUE SO4 A 414
source : AC3

28) chain A
residue 336
type
ligand
sequence R
description BINDING SITE FOR RESIDUE SO4 A 414
source : AC3

29) chain A
residue 338
type
ligand
sequence S
description BINDING SITE FOR RESIDUE SO4 A 414
source : AC3

30) chain A
residue 55
type
ligand
sequence R
description BINDING SITE FOR RESIDUE SO4 A 415
source : AC4

31) chain A
residue 99
type
ligand
sequence R
description BINDING SITE FOR RESIDUE SO4 A 416
source : AC5

32) chain A
residue 103
type
ligand
sequence S
description BINDING SITE FOR RESIDUE SO4 A 416
source : AC5

33) chain A
residue 354
type
ligand
sequence L
description BINDING SITE FOR RESIDUE SO4 A 416
source : AC5

34) chain A
residue 56
type
ligand
sequence H
description BINDING SITE FOR RESIDUE SO4 A 417
source : AC6

35) chain A
residue 326
type
ligand
sequence H
description BINDING SITE FOR RESIDUE SO4 A 417
source : AC6

36) chain A
residue 342
type
ligand
sequence A
description BINDING SITE FOR RESIDUE SO4 A 417
source : AC6

37) chain A
residue 344
type
ligand
sequence L
description BINDING SITE FOR RESIDUE SO4 A 417
source : AC6

38) chain A
residue 353
type METAL
ligand
sequence C
description Iron (heme axial ligand) (By similarity)
source Swiss-Prot : SWS_FT_FI1

39) chain A
residue 346-355
type prosite
ligand
sequence FGHGVHFCLG
description Cytochrome P450 cysteine heme-iron ligand signature. [FW]-[SGNH]-x-[GD]-{F}-[RKHPT]-{P}-C-[LIVMFAP]-[GAD]
source prosite : PS00086

40) chain A
residue 63
type binding
ligand HEM: PROTOPORPHYRIN IX CONTAINING FE
sequence L
description PROTOPORPHYRIN IX CONTAINING FE binding site
source pdb_hetatom : HEM_2jjn_A_412

41) chain A
residue 71
type binding
ligand HEM: PROTOPORPHYRIN IX CONTAINING FE
sequence S
description PROTOPORPHYRIN IX CONTAINING FE binding site
source pdb_hetatom : HEM_2jjn_A_412

42) chain A
residue 87-88
type binding
ligand HEM: PROTOPORPHYRIN IX CONTAINING FE
sequence IH
description PROTOPORPHYRIN IX CONTAINING FE binding site
source pdb_hetatom : HEM_2jjn_A_412

43) chain A
residue 95
type binding
ligand HEM: PROTOPORPHYRIN IX CONTAINING FE
sequence H
description PROTOPORPHYRIN IX CONTAINING FE binding site
source pdb_hetatom : HEM_2jjn_A_412

44) chain A
residue 99
type binding
ligand HEM: PROTOPORPHYRIN IX CONTAINING FE
sequence R
description PROTOPORPHYRIN IX CONTAINING FE binding site
source pdb_hetatom : HEM_2jjn_A_412

45) chain A
residue 106
type binding
ligand HEM: PROTOPORPHYRIN IX CONTAINING FE
sequence F
description PROTOPORPHYRIN IX CONTAINING FE binding site
source pdb_hetatom : HEM_2jjn_A_412

46) chain A
residue 148
type binding
ligand HEM: PROTOPORPHYRIN IX CONTAINING FE
sequence V
description PROTOPORPHYRIN IX CONTAINING FE binding site
source pdb_hetatom : HEM_2jjn_A_412

47) chain A
residue 234
type binding
ligand HEM: PROTOPORPHYRIN IX CONTAINING FE
sequence F
description PROTOPORPHYRIN IX CONTAINING FE binding site
source pdb_hetatom : HEM_2jjn_A_412

48) chain A
residue 237-238
type binding
ligand HEM: PROTOPORPHYRIN IX CONTAINING FE
sequence AL
description PROTOPORPHYRIN IX CONTAINING FE binding site
source pdb_hetatom : HEM_2jjn_A_412

49) chain A
residue 241-242
type binding
ligand HEM: PROTOPORPHYRIN IX CONTAINING FE
sequence AG
description PROTOPORPHYRIN IX CONTAINING FE binding site
source pdb_hetatom : HEM_2jjn_A_412

50) chain A
residue 245-246
type binding
ligand HEM: PROTOPORPHYRIN IX CONTAINING FE
sequence TT
description PROTOPORPHYRIN IX CONTAINING FE binding site
source pdb_hetatom : HEM_2jjn_A_412

51) chain A
residue 249
type binding
ligand HEM: PROTOPORPHYRIN IX CONTAINING FE
sequence L
description PROTOPORPHYRIN IX CONTAINING FE binding site
source pdb_hetatom : HEM_2jjn_A_412

52) chain A
residue 282
type binding
ligand HEM: PROTOPORPHYRIN IX CONTAINING FE
sequence L
description PROTOPORPHYRIN IX CONTAINING FE binding site
source pdb_hetatom : HEM_2jjn_A_412

53) chain A
residue 287-288
type binding
ligand HEM: PROTOPORPHYRIN IX CONTAINING FE
sequence PF
description PROTOPORPHYRIN IX CONTAINING FE binding site
source pdb_hetatom : HEM_2jjn_A_412

54) chain A
residue 291-293
type binding
ligand HEM: PROTOPORPHYRIN IX CONTAINING FE
sequence MQR
description PROTOPORPHYRIN IX CONTAINING FE binding site
source pdb_hetatom : HEM_2jjn_A_412

55) chain A
residue 344-347
type binding
ligand HEM: PROTOPORPHYRIN IX CONTAINING FE
sequence LSFG
description PROTOPORPHYRIN IX CONTAINING FE binding site
source pdb_hetatom : HEM_2jjn_A_412

56) chain A
residue 350-356
type binding
ligand HEM: PROTOPORPHYRIN IX CONTAINING FE
sequence VHFCLGA
description PROTOPORPHYRIN IX CONTAINING FE binding site
source pdb_hetatom : HEM_2jjn_A_412

57) chain A
residue 358-359
type binding
ligand HEM: PROTOPORPHYRIN IX CONTAINING FE
sequence LA
description PROTOPORPHYRIN IX CONTAINING FE binding site
source pdb_hetatom : HEM_2jjn_A_412

58) chain A
residue 362-363
type binding
ligand HEM: PROTOPORPHYRIN IX CONTAINING FE
sequence EN
description PROTOPORPHYRIN IX CONTAINING FE binding site
source pdb_hetatom : HEM_2jjn_A_412

59) chain A
residue 245
type catalytic
ligand
sequence T
description Annotated By Reference To The Literature 1akd
source CSA : CSA1

60) chain A
residue 244
type catalytic
ligand
sequence I
description Annotated By Reference To The Literature 1akd
source CSA : CSA1


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