eF-site ID 4c6q-A
PDB Code 4c6q
Chain A

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Title Crystal structure of the dihydroorotase domain of human CAD C1613S mutant bound to substrate at pH 7.0
Classification HYDROLASE
Compound CAD PROTEIN
Source Homo sapiens (Human) (PYR1_HUMAN)
Sequence A:  KLVRLPGLIDVHVHLREPGGTHKEDFASGTAAALAGGITM
VCAMPNTRPPIIDAPALALAQKLAEAGARCDFALFLGASS
ENAGTLGTVAGSAAGLXLYLNETFSELRLDSVVQWMEHFE
TWPSHLPIVAHAEQQTVAAVLMVAQLTQRSVHISHVARKE
EILLIKAAKARGLPVTCEVAPHHLFLSHDDLERLGPGKGE
VRPELGSRQDVEALWENMAVIDCFASDHAPHTLEEKCGSR
PPPGFPGLETMLPLLLTAVSEGRLSLDDLLQRLHHNPRRI
FHLPPQEDTYVEVDLEHEWTIPSHMPFSKAHWTPFEGQKV
KGTVRRVVLRGEVAYIDGQVLVPPGYGQDVRKWPQGAVPQ
LPP
Description


Functional site

1) chain A
residue 1473
type
sequence H
description BINDING SITE FOR RESIDUE ORO A 2823
source : AC1

2) chain A
residue 1475
type
sequence R
description BINDING SITE FOR RESIDUE ORO A 2823
source : AC1

3) chain A
residue 1505
type
sequence N
description BINDING SITE FOR RESIDUE ORO A 2823
source : AC1

4) chain A
residue 1562
type
sequence T
description BINDING SITE FOR RESIDUE ORO A 2823
source : AC1

5) chain A
residue 1563
type
sequence F
description BINDING SITE FOR RESIDUE ORO A 2823
source : AC1

6) chain A
residue 1590
type
sequence H
description BINDING SITE FOR RESIDUE ORO A 2823
source : AC1

7) chain A
residue 1660
type
sequence V
description BINDING SITE FOR RESIDUE ORO A 2823
source : AC1

8) chain A
residue 1661
type
sequence R
description BINDING SITE FOR RESIDUE ORO A 2823
source : AC1

9) chain A
residue 1688
type
sequence A
description BINDING SITE FOR RESIDUE ORO A 2823
source : AC1

10) chain A
residue 1690
type
sequence H
description BINDING SITE FOR RESIDUE ORO A 2823
source : AC1

11) chain A
residue 1702
type
sequence P
description BINDING SITE FOR RESIDUE ORO A 2823
source : AC1

12) chain A
residue 1703
type
sequence G
description BINDING SITE FOR RESIDUE ORO A 2823
source : AC1

13) chain A
residue 1471
type
sequence H
description BINDING SITE FOR RESIDUE ZN A 2824
source : AC2

14) chain A
residue 1473
type
sequence H
description BINDING SITE FOR RESIDUE ZN A 2824
source : AC2

15) chain A
residue 1556
type
sequence X
description BINDING SITE FOR RESIDUE ZN A 2824
source : AC2

16) chain A
residue 1686
type
sequence D
description BINDING SITE FOR RESIDUE ZN A 2824
source : AC2

17) chain A
residue 1556
type
sequence X
description BINDING SITE FOR RESIDUE ZN A 2825
source : AC3

18) chain A
residue 1590
type
sequence H
description BINDING SITE FOR RESIDUE ZN A 2825
source : AC3

19) chain A
residue 1614
type
sequence H
description BINDING SITE FOR RESIDUE ZN A 2825
source : AC3

20) chain A
residue 1471
type
sequence H
description BINDING SITE FOR RESIDUE NCD A 2826
source : AC4

21) chain A
residue 1473
type
sequence H
description BINDING SITE FOR RESIDUE NCD A 2826
source : AC4

22) chain A
residue 1475
type
sequence R
description BINDING SITE FOR RESIDUE NCD A 2826
source : AC4

23) chain A
residue 1505
type
sequence N
description BINDING SITE FOR RESIDUE NCD A 2826
source : AC4

24) chain A
residue 1556
type
sequence X
description BINDING SITE FOR RESIDUE NCD A 2826
source : AC4

25) chain A
residue 1562
type
sequence T
description BINDING SITE FOR RESIDUE NCD A 2826
source : AC4

26) chain A
residue 1563
type
sequence F
description BINDING SITE FOR RESIDUE NCD A 2826
source : AC4

27) chain A
residue 1590
type
sequence H
description BINDING SITE FOR RESIDUE NCD A 2826
source : AC4

28) chain A
residue 1614
type
sequence H
description BINDING SITE FOR RESIDUE NCD A 2826
source : AC4

29) chain A
residue 1660
type
sequence V
description BINDING SITE FOR RESIDUE NCD A 2826
source : AC4

30) chain A
residue 1661
type
sequence R
description BINDING SITE FOR RESIDUE NCD A 2826
source : AC4

31) chain A
residue 1686
type
sequence D
description BINDING SITE FOR RESIDUE NCD A 2826
source : AC4

32) chain A
residue 1688
type
sequence A
description BINDING SITE FOR RESIDUE NCD A 2826
source : AC4

33) chain A
residue 1690
type
sequence H
description BINDING SITE FOR RESIDUE NCD A 2826
source : AC4

34) chain A
residue 1702
type
sequence P
description BINDING SITE FOR RESIDUE NCD A 2826
source : AC4

35) chain A
residue 1703
type
sequence G
description BINDING SITE FOR RESIDUE NCD A 2826
source : AC4

36) chain A
residue 1586
type
sequence P
description BINDING SITE FOR RESIDUE FMT A 2827
source : AC5

37) chain A
residue 1587
type
sequence I
description BINDING SITE FOR RESIDUE FMT A 2827
source : AC5

38) chain A
residue 1608
type
sequence R
description BINDING SITE FOR RESIDUE FMT A 2827
source : AC5

39) chain A
residue 1609
type
sequence S
description BINDING SITE FOR RESIDUE FMT A 2827
source : AC5

40) chain A
residue 1610
type
sequence V
description BINDING SITE FOR RESIDUE FMT A 2827
source : AC5

41) chain A
residue 1611
type
sequence H
description BINDING SITE FOR RESIDUE FMT A 2827
source : AC5

42) chain A
residue 1470
type
sequence V
description BINDING SITE FOR RESIDUE FMT A 2828
source : AC6

43) chain A
residue 1471
type
sequence H
description BINDING SITE FOR RESIDUE FMT A 2828
source : AC6

44) chain A
residue 1503
type
sequence M
description BINDING SITE FOR RESIDUE FMT A 2828
source : AC6

45) chain A
residue 1534
type
sequence F
description BINDING SITE FOR RESIDUE FMT A 2828
source : AC6

46) chain A
residue 1588
type
sequence V
description BINDING SITE FOR RESIDUE FMT A 2828
source : AC6

47) chain A
residue 1611
type
sequence H
description BINDING SITE FOR RESIDUE FMT A 2828
source : AC6

48) chain A
residue 1613
type
sequence S
description BINDING SITE FOR RESIDUE FMT A 2828
source : AC6

49) chain A
residue 1637
type
sequence E
description BINDING SITE FOR RESIDUE FMT A 2828
source : AC6

50) chain A
residue 1740
type
sequence F
description BINDING SITE FOR RESIDUE FMT A 2828
source : AC6

51) chain A
residue 1734
type
sequence H
description BINDING SITE FOR RESIDUE FMT A 2829
source : AC7

52) chain A
residue 1734
type
sequence H
description BINDING SITE FOR RESIDUE FMT A 2829
source : AC7

53) chain A
residue 1737
type
sequence R
description BINDING SITE FOR RESIDUE FMT A 2829
source : AC7

54) chain A
residue 1737
type
sequence R
description BINDING SITE FOR RESIDUE FMT A 2829
source : AC7

55) chain A
residue 1604
type
sequence Q
description BINDING SITE FOR RESIDUE FMT A 2830
source : AC8

56) chain A
residue 1605
type
sequence L
description BINDING SITE FOR RESIDUE FMT A 2830
source : AC8

57) chain A
residue 1630
type
sequence R
description BINDING SITE FOR RESIDUE FMT A 2830
source : AC8

58) chain A
residue 1469-1477
type prosite
sequence DVHVHLREP
description DIHYDROOROTASE_1 Dihydroorotase signature 1. DVHVHLReP
source prosite : PS00482

59) chain A
residue 1684-1695
type prosite
sequence ASDHAPHTLEEK
description DIHYDROOROTASE_2 Dihydroorotase signature 2. ASDhAPHtleeK
source prosite : PS00483

60) chain A
residue 1686
type ACT_SITE
sequence D
description For DHOase activity => ECO:0000250|UniProtKB:P05020
source Swiss-Prot : SWS_FT_FI1

61) chain A
residue 1471
type BINDING
sequence H
description BINDING => ECO:0000269|PubMed:24332717, ECO:0007744|PDB:4C6D
source Swiss-Prot : SWS_FT_FI2

62) chain A
residue 1473
type BINDING
sequence H
description BINDING => ECO:0000269|PubMed:24332717, ECO:0007744|PDB:4C6D
source Swiss-Prot : SWS_FT_FI2

63) chain A
residue 1590
type BINDING
sequence H
description BINDING => ECO:0000269|PubMed:24332717, ECO:0007744|PDB:4C6D
source Swiss-Prot : SWS_FT_FI2

64) chain A
residue 1613
type BINDING
sequence S
description BINDING => ECO:0000269|PubMed:24332717, ECO:0007744|PDB:4C6D
source Swiss-Prot : SWS_FT_FI2

65) chain A
residue 1614
type BINDING
sequence H
description BINDING => ECO:0000269|PubMed:24332717, ECO:0007744|PDB:4C6D
source Swiss-Prot : SWS_FT_FI2

66) chain A
residue 1637
type BINDING
sequence E
description BINDING => ECO:0000269|PubMed:24332717, ECO:0007744|PDB:4C6D
source Swiss-Prot : SWS_FT_FI2

67) chain A
residue 1686
type BINDING
sequence D
description BINDING => ECO:0000269|PubMed:24332717, ECO:0007744|PDB:4C6D
source Swiss-Prot : SWS_FT_FI2

68) chain A
residue 1475
type BINDING
sequence R
description BINDING => ECO:0000269|PubMed:24332717, ECO:0007744|PDB:4C6Q
source Swiss-Prot : SWS_FT_FI3

69) chain A
residue 1505
type BINDING
sequence N
description BINDING => ECO:0000269|PubMed:24332717, ECO:0007744|PDB:4C6Q
source Swiss-Prot : SWS_FT_FI3

70) chain A
residue 1661
type BINDING
sequence R
description BINDING => ECO:0000269|PubMed:24332717, ECO:0007744|PDB:4C6Q
source Swiss-Prot : SWS_FT_FI3

71) chain A
residue 1690
type BINDING
sequence H
description BINDING => ECO:0000269|PubMed:24332717, ECO:0007744|PDB:4C6Q
source Swiss-Prot : SWS_FT_FI3

72) chain A
residue 1702
type BINDING
sequence P
description BINDING => ECO:0000269|PubMed:24332717, ECO:0007744|PDB:4C6Q
source Swiss-Prot : SWS_FT_FI3

73) chain A
residue 1556
type BINDING
sequence X
description via carbamate group => ECO:0000269|PubMed:24332717, ECO:0007744|PDB:4C6D
source Swiss-Prot : SWS_FT_FI4

74) chain A
residue 1556
type MOD_RES
sequence X
description N6-carboxylysine => ECO:0000269|PubMed:24332717
source Swiss-Prot : SWS_FT_FI5


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