eF-site ID 6eqv-A
PDB Code 6eqv
Chain A

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Title X-ray structure of the proprotein convertase furin bound with the competitive inhibitor Phac-Cit-Val-Arg-Amba
Classification HYDROLASE
Compound Furin
Source Homo sapiens (Human) (6EQV)
Sequence A:  VYQEPTDPKFPQQWYLSGVTQRDLNVKAAWAQGYTGHGIV
VSILDDGIEKNHPDLAGNYDPGASFDVNDQDPDPQPRYTQ
MNDNRHGTRCAGEVAAVANNGVCGVGVAYNARIGGVRMLD
GEVTDAVEARSLGLNPNHIHIYSASWGPEDDGKTVDGPAR
LAEEAFFRGVSQGRGGLGSIFVWASGNGGREHDSCNCDGY
TNSIYTLSISSATQFGNVPWYSEACSSTLATTYSSGNQNE
KQIVTTDLRQKCTESHTGTSASAPLAAGIIALTLEANKNL
TWRDMQHLVVQTSKPAHLNANDWATNGVGRKVSHSYGYGL
LDAGAMVALAQNWTTVAPQRKCIIDILTEPKDIGKRLEVR
KTVTACLGEPNHITRLEHAQARLTLSYNRRGDLAIHLVSP
MGTRSTLLAARPHDYSADGFNDWAFMTTHSWDEDPSGEWV
LEIENTSEANNYGTLTKFTLVLYGTASGSLVPR
Description (1)  Furin (E.C.3.4.21.75), HY1-LLI-VAL-ARG-00S


Functional site

1) chain A
residue 174
type
ligand
sequence D
description binding site for residue CA A 601
source : AC1

2) chain A
residue 179
type
ligand
sequence D
description binding site for residue CA A 601
source : AC1

3) chain A
residue 181
type
ligand
sequence D
description binding site for residue CA A 601
source : AC1

4) chain A
residue 115
type
ligand
sequence D
description binding site for residue CA A 602
source : AC2

5) chain A
residue 162
type
ligand
sequence D
description binding site for residue CA A 602
source : AC2

6) chain A
residue 205
type
ligand
sequence V
description binding site for residue CA A 602
source : AC2

7) chain A
residue 208
type
ligand
sequence N
description binding site for residue CA A 602
source : AC2

8) chain A
residue 210
type
ligand
sequence V
description binding site for residue CA A 602
source : AC2

9) chain A
residue 212
type
ligand
sequence G
description binding site for residue CA A 602
source : AC2

10) chain A
residue 258
type
ligand
sequence D
description binding site for residue CA A 603
source : AC3

11) chain A
residue 301
type
ligand
sequence D
description binding site for residue CA A 603
source : AC3

12) chain A
residue 331
type
ligand
sequence E
description binding site for residue CA A 603
source : AC3

13) chain A
residue 309
type
ligand
sequence T
description binding site for residue NA A 604
source : AC4

14) chain A
residue 311
type
ligand
sequence S
description binding site for residue NA A 604
source : AC4

15) chain A
residue 314
type
ligand
sequence T
description binding site for residue NA A 604
source : AC4

16) chain A
residue 279
type
ligand
sequence S
description binding site for residue NA A 605
source : AC5

17) chain A
residue 284
type
ligand
sequence G
description binding site for residue NA A 605
source : AC5

18) chain A
residue 544
type
ligand
sequence S
description binding site for residue NA A 606
source : AC6

19) chain A
residue 544
type
ligand
sequence S
description binding site for residue NA A 606
source : AC6

20) chain A
residue 546
type
ligand
sequence E
description binding site for residue NA A 607
source : AC7

21) chain A
residue 546
type
ligand
sequence E
description binding site for residue NA A 607
source : AC7

22) chain A
residue 313
type
ligand
sequence Y
description binding site for residue CL A 608
source : AC8

23) chain A
residue 449
type
ligand
sequence K
description binding site for residue CL A 608
source : AC8

24) chain A
residue 571
type
ligand
sequence Y
description binding site for residue CL A 608
source : AC8

25) chain A
residue 236
type
ligand
sequence E
description binding site for residues HY1 D 1 and CIR D 2
source : AC9

26) chain A
residue 255
type
ligand
sequence G
description binding site for residues HY1 D 1 and CIR D 2
source : AC9

27) chain A
residue 257
type
ligand
sequence E
description binding site for residues HY1 D 1 and CIR D 2
source : AC9

28) chain A
residue 264
type
ligand
sequence D
description binding site for residues HY1 D 1 and CIR D 2
source : AC9

29) chain A
residue 265
type
ligand
sequence G
description binding site for residues HY1 D 1 and CIR D 2
source : AC9

30) chain A
residue 308
type
ligand
sequence Y
description binding site for residues HY1 D 1 and CIR D 2
source : AC9

31) chain A
residue 261
type ACT_SITE
ligand
sequence K
description Charge relay system. {ECO:0000255|PROSITE-ProRule:PRU10082}.
source Swiss-Prot : SWS_FT_FI3

32) chain A
residue 151
type METAL
ligand
sequence I
description Calcium 3. {ECO:0000244|PDB:4OMC, ECO:0000244|PDB:4OMD, ECO:0000244|PDB:4RYD, ECO:0000269|PubMed:24666235, ECO:0000269|PubMed:25974265}
source Swiss-Prot : SWS_FT_FI4

33) chain A
residue 194
type METAL
ligand
sequence H
description Calcium 3. {ECO:0000244|PDB:4OMC, ECO:0000244|PDB:4OMD, ECO:0000244|PDB:4RYD, ECO:0000269|PubMed:24666235, ECO:0000269|PubMed:25974265}
source Swiss-Prot : SWS_FT_FI4

34) chain A
residue 224
type METAL
ligand
sequence V
description Calcium 3. {ECO:0000244|PDB:4OMC, ECO:0000244|PDB:4OMD, ECO:0000244|PDB:4RYD, ECO:0000269|PubMed:24666235, ECO:0000269|PubMed:25974265}
source Swiss-Prot : SWS_FT_FI4

35) chain A
residue 129
type BINDING
ligand
sequence Q
description Substrate. {ECO:0000244|PDB:4OMC, ECO:0000244|PDB:4OMD, ECO:0000244|PDB:4RYD, ECO:0000305|PubMed:24666235, ECO:0000305|PubMed:25974265}.
source Swiss-Prot : SWS_FT_FI9

36) chain A
residue 157
type BINDING
ligand
sequence E
description Substrate. {ECO:0000244|PDB:4OMC, ECO:0000244|PDB:4OMD, ECO:0000244|PDB:4RYD, ECO:0000305|PubMed:24666235, ECO:0000305|PubMed:25974265}.
source Swiss-Prot : SWS_FT_FI9

37) chain A
residue 199
type BINDING
ligand
sequence A
description Substrate. {ECO:0000244|PDB:4OMC, ECO:0000244|PDB:4OMD, ECO:0000244|PDB:4RYD, ECO:0000305|PubMed:24666235, ECO:0000305|PubMed:25974265}.
source Swiss-Prot : SWS_FT_FI9

38) chain A
residue 201
type BINDING
ligand
sequence E
description Substrate. {ECO:0000244|PDB:4OMC, ECO:0000244|PDB:4OMD, ECO:0000244|PDB:4RYD, ECO:0000305|PubMed:24666235, ECO:0000305|PubMed:25974265}.
source Swiss-Prot : SWS_FT_FI9

39) chain A
residue 261
type BINDING
ligand
sequence K
description Substrate. {ECO:0000244|PDB:4OMC, ECO:0000244|PDB:4OMD, ECO:0000244|PDB:4RYD, ECO:0000305|PubMed:24666235, ECO:0000305|PubMed:25974265}.
source Swiss-Prot : SWS_FT_FI9

40) chain A
residue 194
type binding
ligand 00S: 4-(aminomethyl)benzenecarboximidamide
sequence H
description 4-(aminomethyl)benzenecarboximidamide binding site
source pdb_hetatom : 00S_6eqv_D_5

41) chain A
residue 253-256
type binding
ligand 00S: 4-(aminomethyl)benzenecarboximidamide
sequence SWGP
description 4-(aminomethyl)benzenecarboximidamide binding site
source pdb_hetatom : 00S_6eqv_D_5

42) chain A
residue 258
type binding
ligand 00S: 4-(aminomethyl)benzenecarboximidamide
sequence D
description 4-(aminomethyl)benzenecarboximidamide binding site
source pdb_hetatom : 00S_6eqv_D_5

43) chain A
residue 291-295
type binding
ligand 00S: 4-(aminomethyl)benzenecarboximidamide
sequence WASGN
description 4-(aminomethyl)benzenecarboximidamide binding site
source pdb_hetatom : 00S_6eqv_D_5

44) chain A
residue 306
type binding
ligand 00S: 4-(aminomethyl)benzenecarboximidamide
sequence D
description 4-(aminomethyl)benzenecarboximidamide binding site
source pdb_hetatom : 00S_6eqv_D_5

45) chain A
residue 309
type binding
ligand 00S: 4-(aminomethyl)benzenecarboximidamide
sequence T
description 4-(aminomethyl)benzenecarboximidamide binding site
source pdb_hetatom : 00S_6eqv_D_5

46) chain A
residue 367-368
type binding
ligand 00S: 4-(aminomethyl)benzenecarboximidamide
sequence TS
description 4-(aminomethyl)benzenecarboximidamide binding site
source pdb_hetatom : 00S_6eqv_D_5

47) chain A
residue 227
type binding
ligand CIR: CITRULLINE
sequence L
description CITRULLINE binding site
source pdb_hetatom : CIR_6eqv_D_2

48) chain A
residue 231
type binding
ligand CIR: CITRULLINE
sequence V
description CITRULLINE binding site
source pdb_hetatom : CIR_6eqv_D_2

49) chain A
residue 236
type binding
ligand CIR: CITRULLINE
sequence E
description CITRULLINE binding site
source pdb_hetatom : CIR_6eqv_D_2

50) chain A
residue 254-256
type binding
ligand CIR: CITRULLINE
sequence WGP
description CITRULLINE binding site
source pdb_hetatom : CIR_6eqv_D_2

51) chain A
residue 264-265
type binding
ligand CIR: CITRULLINE
sequence DG
description CITRULLINE binding site
source pdb_hetatom : CIR_6eqv_D_2

52) chain A
residue 308
type binding
ligand CIR: CITRULLINE
sequence Y
description CITRULLINE binding site
source pdb_hetatom : CIR_6eqv_D_2

53) chain A
residue 231
type binding
ligand HY1: PHENYLACETALDEHYDE
sequence V
description PHENYLACETALDEHYDE binding site
source pdb_hetatom : HY1_6eqv_D_1

54) chain A
residue 255-257
type binding
ligand HY1: PHENYLACETALDEHYDE
sequence GPE
description PHENYLACETALDEHYDE binding site
source pdb_hetatom : HY1_6eqv_D_1

55) chain A
residue 264
type binding
ligand HY1: PHENYLACETALDEHYDE
sequence D
description PHENYLACETALDEHYDE binding site
source pdb_hetatom : HY1_6eqv_D_1


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