eF-site ID 2air-ABGH
PDB Code 2air
Chain A, B, G, H

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Title T-state Active Site of Aspartate Transcarbamylase:Crystal Structure of the Carbamyl Phosphate and L-alanosine Ligated Enzyme
Classification TRANSFERASE
Compound Aspartate carbamoyltransferase catalytic chain
Source Escherichia coli (strain K12) (PYRI_ECOLI)
Sequence A:  ANPLYQKHIISINDLSRDDLNLVLATAAKLKANPQPELLK
HKVIASCFFEASTRTRLSFETSMHRLGASVVGFSDSANTS
LGKKGETLADTISVISTYVDAIVMRHPQEGAARLATEFSG
NVPVLNAGDGSNQHPTQTLLDLFTIQETQGRLDNLHVAMV
GDLKYGRTVHSLTQALAKFDGNRFYFIAPDALAMPQYILD
MLDEKGIAWSLHSSIEEVMAEVDILYMTRVQKERLDPSEY
ANVKAQFVLRASDLHNAKANMKVLHPLPRVDEIATDVDKT
PHAWYFQQAGNGIFARQALLALVLNRDLVL
B:  MTHDNKLQVEAIKRGTVIDHIPAQIGFKLLSLFKLTETDQ
RITIGLNLPSGEMGRKDLIKIENTFLSEDQVDQLALYAPQ
ATVNRIDNYEVVGKSRPSLPERIDNVLVCPNSNCISHAEP
VSSSFAVRKRANDIALKCKYCEKEFSHNVVLAN
G:  ANPLYQKHIISINDLSRDDLNLVLATAAKLKANPQPELLK
HKVIASCFFEASTRTRLSFETSMHRLGASVVGFSDSANTS
LGKKGETLADTISVISTYVDAIVMRHPQEGAARLATEFSG
NVPVLNAGDGSNQHPTQTLLDLFTIQETQGRLDNLHVAMV
GDLKYGRTVHSLTQALAKFDGNRFYFIAPDALAMPQYILD
MLDEKGIAWSLHSSIEEVMAEVDILYMTRVQKERLDPSEY
ANVKAQFVLRASDLHNAKANMKVLHPLPRVDEIATDVDKT
PHAWYFQQAGNGIFARQALLALVLNRDLVL
H:  MTHDNKLQVEAIKRGTVIDHIPAQIGFKLLSLFKLTETDQ
RITIGLNLPSGEMGRKDLIKIENTFLSEDQVDQLALYAPQ
ATVNRIDNYEVVGKSRPSLPERIDNVLVCPNSNCISHAEP
VSSSFAVRKRANDIALKCKYCEKEFSHNVVLAN
Description (1)  Aspartate carbamoyltransferase catalytic chain (E.C.2.1.3.2), Aspartate carbamoyltransferase regulatory chain


Functional site

1) chain B
residue 109
type
ligand
sequence C
description BINDING SITE FOR RESIDUE ZN B 800
source : AC1

2) chain B
residue 114
type
ligand
sequence C
description BINDING SITE FOR RESIDUE ZN B 800
source : AC1

3) chain B
residue 138
type
ligand
sequence C
description BINDING SITE FOR RESIDUE ZN B 800
source : AC1

4) chain B
residue 141
type
ligand
sequence C
description BINDING SITE FOR RESIDUE ZN B 800
source : AC1

5) chain H
residue 109
type
ligand
sequence C
description BINDING SITE FOR RESIDUE ZN H 801
source : AC2

6) chain H
residue 114
type
ligand
sequence C
description BINDING SITE FOR RESIDUE ZN H 801
source : AC2

7) chain H
residue 138
type
ligand
sequence C
description BINDING SITE FOR RESIDUE ZN H 801
source : AC2

8) chain H
residue 141
type
ligand
sequence C
description BINDING SITE FOR RESIDUE ZN H 801
source : AC2

9) chain A
residue 54
type
ligand
sequence R
description BINDING SITE FOR RESIDUE CP A 802
source : AC3

10) chain A
residue 55
type
ligand
sequence T
description BINDING SITE FOR RESIDUE CP A 802
source : AC3

11) chain A
residue 105
type
ligand
sequence R
description BINDING SITE FOR RESIDUE CP A 802
source : AC3

12) chain A
residue 134
type
ligand
sequence H
description BINDING SITE FOR RESIDUE CP A 802
source : AC3

13) chain G
residue 54
type
ligand
sequence R
description BINDING SITE FOR RESIDUE CP G 803
source : AC4

14) chain G
residue 55
type
ligand
sequence T
description BINDING SITE FOR RESIDUE CP G 803
source : AC4

15) chain G
residue 105
type
ligand
sequence R
description BINDING SITE FOR RESIDUE CP G 803
source : AC4

16) chain G
residue 134
type
ligand
sequence H
description BINDING SITE FOR RESIDUE CP G 803
source : AC4

17) chain G
residue 229
type
ligand
sequence R
description BINDING SITE FOR RESIDUE CP G 803
source : AC4

18) chain G
residue 51
type
ligand
sequence A
description BINDING SITE FOR RESIDUE AL0 G 804
source : AC5

19) chain G
residue 52
type
ligand
sequence S
description BINDING SITE FOR RESIDUE AL0 G 804
source : AC5

20) chain G
residue 54
type
ligand
sequence R
description BINDING SITE FOR RESIDUE AL0 G 804
source : AC5

21) chain G
residue 55
type
ligand
sequence T
description BINDING SITE FOR RESIDUE AL0 G 804
source : AC5

22) chain G
residue 80
type
ligand
sequence S
description BINDING SITE FOR RESIDUE AL0 G 804
source : AC5

23) chain G
residue 105
type
ligand
sequence R
description BINDING SITE FOR RESIDUE AL0 G 804
source : AC5

24) chain A
residue 51
type
ligand
sequence A
description BINDING SITE FOR RESIDUE AL0 A 805
source : AC6

25) chain A
residue 52
type
ligand
sequence S
description BINDING SITE FOR RESIDUE AL0 A 805
source : AC6

26) chain A
residue 53
type
ligand
sequence T
description BINDING SITE FOR RESIDUE AL0 A 805
source : AC6

27) chain A
residue 54
type
ligand
sequence R
description BINDING SITE FOR RESIDUE AL0 A 805
source : AC6

28) chain A
residue 80
type
ligand
sequence S
description BINDING SITE FOR RESIDUE AL0 A 805
source : AC6

29) chain A
residue 105
type
ligand
sequence R
description BINDING SITE FOR RESIDUE AL0 A 805
source : AC6

30) chain B
residue 110
type METAL
ligand
sequence P
description Zinc
source Swiss-Prot : SWS_FT_FI1

31) chain B
residue 115
type METAL
ligand
sequence I
description Zinc
source Swiss-Prot : SWS_FT_FI1

32) chain B
residue 139
type METAL
ligand
sequence K
description Zinc
source Swiss-Prot : SWS_FT_FI1

33) chain B
residue 142
type METAL
ligand
sequence E
description Zinc
source Swiss-Prot : SWS_FT_FI1

34) chain H
residue 110
type METAL
ligand
sequence P
description Zinc
source Swiss-Prot : SWS_FT_FI2

35) chain H
residue 115
type METAL
ligand
sequence I
description Zinc
source Swiss-Prot : SWS_FT_FI2

36) chain H
residue 139
type METAL
ligand
sequence K
description Zinc
source Swiss-Prot : SWS_FT_FI2

37) chain H
residue 142
type METAL
ligand
sequence E
description Zinc
source Swiss-Prot : SWS_FT_FI2

38) chain A
residue 50-55
type binding
ligand AL0: 3-[HYDROXY(NITROSO)AMINO]-L-ALANINE
sequence EASTRT
description 3-[HYDROXY(NITROSO)AMINO]-L-ALANINE binding site
source pdb_hetatom : AL0_2air_A_805

39) chain A
residue 105
type binding
ligand AL0: 3-[HYDROXY(NITROSO)AMINO]-L-ALANINE
sequence R
description 3-[HYDROXY(NITROSO)AMINO]-L-ALANINE binding site
source pdb_hetatom : AL0_2air_A_805

40) chain A
residue 268
type binding
ligand AL0: 3-[HYDROXY(NITROSO)AMINO]-L-ALANINE
sequence P
description 3-[HYDROXY(NITROSO)AMINO]-L-ALANINE binding site
source pdb_hetatom : AL0_2air_A_805

41) chain A
residue 52
type binding
ligand CP: PHOSPHORIC ACID MONO(FORMAMIDE)ESTER
sequence S
description PHOSPHORIC ACID MONO(FORMAMIDE)ESTER binding site
source pdb_hetatom : CP_2air_A_802

42) chain A
residue 54-55
type binding
ligand CP: PHOSPHORIC ACID MONO(FORMAMIDE)ESTER
sequence RT
description PHOSPHORIC ACID MONO(FORMAMIDE)ESTER binding site
source pdb_hetatom : CP_2air_A_802

43) chain A
residue 105
type binding
ligand CP: PHOSPHORIC ACID MONO(FORMAMIDE)ESTER
sequence R
description PHOSPHORIC ACID MONO(FORMAMIDE)ESTER binding site
source pdb_hetatom : CP_2air_A_802

44) chain A
residue 127
type binding
ligand CP: PHOSPHORIC ACID MONO(FORMAMIDE)ESTER
sequence A
description PHOSPHORIC ACID MONO(FORMAMIDE)ESTER binding site
source pdb_hetatom : CP_2air_A_802

45) chain A
residue 134
type binding
ligand CP: PHOSPHORIC ACID MONO(FORMAMIDE)ESTER
sequence H
description PHOSPHORIC ACID MONO(FORMAMIDE)ESTER binding site
source pdb_hetatom : CP_2air_A_802

46) chain A
residue 137
type binding
ligand CP: PHOSPHORIC ACID MONO(FORMAMIDE)ESTER
sequence Q
description PHOSPHORIC ACID MONO(FORMAMIDE)ESTER binding site
source pdb_hetatom : CP_2air_A_802

47) chain A
residue 168
type binding
ligand CP: PHOSPHORIC ACID MONO(FORMAMIDE)ESTER
sequence T
description PHOSPHORIC ACID MONO(FORMAMIDE)ESTER binding site
source pdb_hetatom : CP_2air_A_802

48) chain A
residue 266
type binding
ligand CP: PHOSPHORIC ACID MONO(FORMAMIDE)ESTER
sequence P
description PHOSPHORIC ACID MONO(FORMAMIDE)ESTER binding site
source pdb_hetatom : CP_2air_A_802

49) chain G
residue 50-55
type binding
ligand AL0: 3-[HYDROXY(NITROSO)AMINO]-L-ALANINE
sequence EASTRT
description 3-[HYDROXY(NITROSO)AMINO]-L-ALANINE binding site
source pdb_hetatom : AL0_2air_G_804

50) chain G
residue 105
type binding
ligand AL0: 3-[HYDROXY(NITROSO)AMINO]-L-ALANINE
sequence R
description 3-[HYDROXY(NITROSO)AMINO]-L-ALANINE binding site
source pdb_hetatom : AL0_2air_G_804

51) chain G
residue 229
type binding
ligand AL0: 3-[HYDROXY(NITROSO)AMINO]-L-ALANINE
sequence R
description 3-[HYDROXY(NITROSO)AMINO]-L-ALANINE binding site
source pdb_hetatom : AL0_2air_G_804

52) chain G
residue 268
type binding
ligand AL0: 3-[HYDROXY(NITROSO)AMINO]-L-ALANINE
sequence P
description 3-[HYDROXY(NITROSO)AMINO]-L-ALANINE binding site
source pdb_hetatom : AL0_2air_G_804

53) chain G
residue 54-55
type binding
ligand CP: PHOSPHORIC ACID MONO(FORMAMIDE)ESTER
sequence RT
description PHOSPHORIC ACID MONO(FORMAMIDE)ESTER binding site
source pdb_hetatom : CP_2air_G_803

54) chain G
residue 105
type binding
ligand CP: PHOSPHORIC ACID MONO(FORMAMIDE)ESTER
sequence R
description PHOSPHORIC ACID MONO(FORMAMIDE)ESTER binding site
source pdb_hetatom : CP_2air_G_803

55) chain G
residue 127
type binding
ligand CP: PHOSPHORIC ACID MONO(FORMAMIDE)ESTER
sequence A
description PHOSPHORIC ACID MONO(FORMAMIDE)ESTER binding site
source pdb_hetatom : CP_2air_G_803

56) chain G
residue 134
type binding
ligand CP: PHOSPHORIC ACID MONO(FORMAMIDE)ESTER
sequence H
description PHOSPHORIC ACID MONO(FORMAMIDE)ESTER binding site
source pdb_hetatom : CP_2air_G_803

57) chain G
residue 137
type binding
ligand CP: PHOSPHORIC ACID MONO(FORMAMIDE)ESTER
sequence Q
description PHOSPHORIC ACID MONO(FORMAMIDE)ESTER binding site
source pdb_hetatom : CP_2air_G_803

58) chain G
residue 229
type binding
ligand CP: PHOSPHORIC ACID MONO(FORMAMIDE)ESTER
sequence R
description PHOSPHORIC ACID MONO(FORMAMIDE)ESTER binding site
source pdb_hetatom : CP_2air_G_803

59) chain G
residue 266
type binding
ligand CP: PHOSPHORIC ACID MONO(FORMAMIDE)ESTER
sequence P
description PHOSPHORIC ACID MONO(FORMAMIDE)ESTER binding site
source pdb_hetatom : CP_2air_G_803

60) chain A
residue 54
type catalytic
ligand
sequence R
description Annotated By Reference To The Literature 1at1
source CSA : CSA1

61) chain A
residue 134
type catalytic
ligand
sequence H
description Annotated By Reference To The Literature 1at1
source CSA : CSA1

62) chain A
residue 105
type catalytic
ligand
sequence R
description Annotated By Reference To The Literature 1at1
source CSA : CSA1

63) chain A
residue 55
type catalytic
ligand
sequence T
description Annotated By Reference To The Literature 1at1
source CSA : CSA1

64) chain G
residue 54
type catalytic
ligand
sequence R
description Annotated By Reference To The Literature 1at1
source CSA : CSA2

65) chain G
residue 134
type catalytic
ligand
sequence H
description Annotated By Reference To The Literature 1at1
source CSA : CSA2

66) chain G
residue 105
type catalytic
ligand
sequence R
description Annotated By Reference To The Literature 1at1
source CSA : CSA2

67) chain G
residue 55
type catalytic
ligand
sequence T
description Annotated By Reference To The Literature 1at1
source CSA : CSA2


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