eF-site ID 3tf6-ABC
PDB Code 3tf6
Chain A, B, C

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Title Crystal structure of Neutrophil gelatinase-associated lipocalin (C87S mutant) in complex with Europium and the siderophore analog tren(cam)(1,2-hopo)2
Classification ANTIMICROBIAL PROTEIN
Compound Neutrophil gelatinase-associated lipocalin
Source (NGAL_HUMAN)
Sequence A:  STSDLIPAPPLSKVPLQQNFQDNQFQGKWYVVGLAGNAIL
REDKDPQKMYATIYELKEDKSYNVTSVLFRKKKCDYWIRT
FVPGSQPGEFTLGNIKSYPGLTSYLVRVVSTNYNQHAMVF
FKKVSQNREYFKITLYGRTKELTSELKENFIRFSKSLGLP
ENHIVFPVPIDQCIDG
B:  SDLIPAPPLSKVPLQQNFQDNQFQGKWYVVGLAGNAILRE
DPQKMYATIYELKEDKSYNVTSVLFRKKKCDYWIRTFVPG
SQPGEFTLGNIKSYPGLTSYLVRVVSTNYNQHAMVFFKKV
SQNREYFKITLYGRTKELTSELKENFIRFSKSLGLPENHI
VFPVPIDQCID
C:  SDLIPAPPLSKVPLQQNFQDNQFQGKWYVVGLAGNAILRE
DKDPQKMYATIYELKEDKSYNVTSVLFRKKKCDYWIRTFV
PGSQPGEFTLGNIKSYPGLTSYLVRVVSTNYNQHAMVFFK
KVSQNREYFKITLYGRTKELTSELKENFIRFSKSLGLPEN
HIVFPVPIDQCID
Description (1)  Neutrophil gelatinase-associated lipocalin


Functional site

1) chain A
residue 42
type
sequence L
description BINDING SITE FOR RESIDUE GOL A 201
source : AC1

2) chain A
residue 164
type
sequence N
description BINDING SITE FOR RESIDUE GOL A 201
source : AC1

3) chain A
residue 165
type
sequence H
description BINDING SITE FOR RESIDUE GOL A 201
source : AC1

4) chain C
residue 75
type
sequence K
description BINDING SITE FOR RESIDUE GOL A 201
source : AC1

5) chain A
residue 106
type
sequence Y
description BINDING SITE FOR RESIDUE DBH A 216
source : AC3

6) chain A
residue 123
type
sequence F
description BINDING SITE FOR RESIDUE DBH A 216
source : AC3

7) chain A
residue 125
type
sequence K
description BINDING SITE FOR RESIDUE DBH A 216
source : AC3

8) chain A
residue 132
type
sequence Y
description BINDING SITE FOR RESIDUE DBH A 216
source : AC3

9) chain A
residue 134
type
sequence K
description BINDING SITE FOR RESIDUE DBH A 216
source : AC3

10) chain A
residue 52
type
sequence Y
description BINDING SITE FOR RESIDUE SO4 A 221
source : AC4

11) chain A
residue 54
type
sequence T
description BINDING SITE FOR RESIDUE SO4 A 221
source : AC4

12) chain A
residue 68
type
sequence S
description BINDING SITE FOR RESIDUE SO4 A 221
source : AC4

13) chain A
residue 81
type
sequence R
description BINDING SITE FOR RESIDUE SO4 A 221
source : AC4

14) chain A
residue 123
type
sequence F
description BINDING SITE FOR RESIDUE SO4 A 221
source : AC4

15) chain A
residue 134
type
sequence K
description BINDING SITE FOR RESIDUE SO4 A 221
source : AC4

16) chain A
residue 136
type
sequence T
description BINDING SITE FOR RESIDUE SO4 A 221
source : AC4

17) chain A
residue 138
type
sequence Y
description BINDING SITE FOR RESIDUE SO4 A 221
source : AC4

18) chain B
residue 125
type
sequence K
description BINDING SITE FOR RESIDUE EU B 206
source : AC5

19) chain B
residue 106
type
sequence Y
description BINDING SITE FOR RESIDUE DBH B 216
source : AC6

20) chain B
residue 123
type
sequence F
description BINDING SITE FOR RESIDUE DBH B 216
source : AC6

21) chain B
residue 134
type
sequence K
description BINDING SITE FOR RESIDUE DBH B 216
source : AC6

22) chain B
residue 33
type
sequence V
description BINDING SITE FOR RESIDUE SO4 B 221
source : AC7

23) chain B
residue 52
type
sequence Y
description BINDING SITE FOR RESIDUE SO4 B 221
source : AC7

24) chain B
residue 54
type
sequence T
description BINDING SITE FOR RESIDUE SO4 B 221
source : AC7

25) chain B
residue 81
type
sequence R
description BINDING SITE FOR RESIDUE SO4 B 221
source : AC7

26) chain B
residue 123
type
sequence F
description BINDING SITE FOR RESIDUE SO4 B 221
source : AC7

27) chain B
residue 134
type
sequence K
description BINDING SITE FOR RESIDUE SO4 B 221
source : AC7

28) chain B
residue 136
type
sequence T
description BINDING SITE FOR RESIDUE SO4 B 221
source : AC7

29) chain B
residue 138
type
sequence Y
description BINDING SITE FOR RESIDUE SO4 B 221
source : AC7

30) chain A
residue 75
type
sequence K
description BINDING SITE FOR RESIDUE GOL C 201
source : AC8

31) chain C
residue 42
type
sequence L
description BINDING SITE FOR RESIDUE GOL C 201
source : AC8

32) chain C
residue 164
type
sequence N
description BINDING SITE FOR RESIDUE GOL C 201
source : AC8

33) chain C
residue 165
type
sequence H
description BINDING SITE FOR RESIDUE GOL C 201
source : AC8

34) chain C
residue 106
type
sequence Y
description BINDING SITE FOR RESIDUE DBH C 216
source : BC1

35) chain C
residue 123
type
sequence F
description BINDING SITE FOR RESIDUE DBH C 216
source : BC1

36) chain C
residue 125
type
sequence K
description BINDING SITE FOR RESIDUE DBH C 216
source : BC1

37) chain C
residue 132
type
sequence Y
description BINDING SITE FOR RESIDUE DBH C 216
source : BC1

38) chain C
residue 133
type
sequence F
description BINDING SITE FOR RESIDUE DBH C 216
source : BC1

39) chain C
residue 134
type
sequence K
description BINDING SITE FOR RESIDUE DBH C 216
source : BC1

40) chain C
residue 52
type
sequence Y
description BINDING SITE FOR RESIDUE SO4 C 221
source : BC2

41) chain C
residue 54
type
sequence T
description BINDING SITE FOR RESIDUE SO4 C 221
source : BC2

42) chain C
residue 68
type
sequence S
description BINDING SITE FOR RESIDUE SO4 C 221
source : BC2

43) chain C
residue 81
type
sequence R
description BINDING SITE FOR RESIDUE SO4 C 221
source : BC2

44) chain C
residue 123
type
sequence F
description BINDING SITE FOR RESIDUE SO4 C 221
source : BC2

45) chain C
residue 134
type
sequence K
description BINDING SITE FOR RESIDUE SO4 C 221
source : BC2

46) chain C
residue 138
type
sequence Y
description BINDING SITE FOR RESIDUE SO4 C 221
source : BC2

47) chain C
residue 93
type
sequence T
description BINDING SITE FOR RESIDUE GOL C 183
source : BC3

48) chain C
residue 94
type
sequence L
description BINDING SITE FOR RESIDUE GOL C 183
source : BC3

49) chain C
residue 97
type
sequence I
description BINDING SITE FOR RESIDUE GOL C 183
source : BC3

50) chain C
residue 105
type
sequence S
description BINDING SITE FOR RESIDUE GOL C 183
source : BC3

51) chain C
residue 106
type
sequence Y
description BINDING SITE FOR RESIDUE GOL C 183
source : BC3

52) chain A
residue 117
type
sequence Q
description BINDING SITE FOR RESIDUE GOL C 184
source : BC4

53) chain C
residue 114
type
sequence N
description BINDING SITE FOR RESIDUE GOL C 184
source : BC4

54) chain C
residue 118
type
sequence H
description BINDING SITE FOR RESIDUE GOL C 184
source : BC4

55) chain C
residue 146
type
sequence S
description BINDING SITE FOR RESIDUE CL C 185
source : BC5

56) chain A
residue 146
type
sequence S
description BINDING SITE FOR RESIDUE CL A 183
source : BC6

57) chain C
residue 163
type
sequence E
description BINDING SITE FOR RESIDUE CL C 186
source : BC7

58) chain C
residue 120
type
sequence M
description BINDING SITE FOR RESIDUE CL C 187
source : BC8

59) chain B
residue 75
type
sequence K
description BINDING SITE FOR RESIDUE CL B 183
source : BC9

60) chain A
residue 52
type BINDING
sequence Y
description BINDING => ECO:0007744|PDB:1X89, ECO:0007744|PDB:1X8U
source Swiss-Prot : SWS_FT_FI1

61) chain B
residue 52
type BINDING
sequence Y
description BINDING => ECO:0007744|PDB:1X89, ECO:0007744|PDB:1X8U
source Swiss-Prot : SWS_FT_FI1

62) chain C
residue 52
type BINDING
sequence Y
description BINDING => ECO:0007744|PDB:1X89, ECO:0007744|PDB:1X8U
source Swiss-Prot : SWS_FT_FI1

63) chain A
residue 106
type BINDING
sequence Y
description BINDING => ECO:0007744|PDB:3CMP
source Swiss-Prot : SWS_FT_FI2

64) chain A
residue 134
type BINDING
sequence K
description BINDING => ECO:0007744|PDB:3CMP
source Swiss-Prot : SWS_FT_FI2

65) chain B
residue 106
type BINDING
sequence Y
description BINDING => ECO:0007744|PDB:3CMP
source Swiss-Prot : SWS_FT_FI2

66) chain B
residue 134
type BINDING
sequence K
description BINDING => ECO:0007744|PDB:3CMP
source Swiss-Prot : SWS_FT_FI2

67) chain C
residue 106
type BINDING
sequence Y
description BINDING => ECO:0007744|PDB:3CMP
source Swiss-Prot : SWS_FT_FI2

68) chain C
residue 134
type BINDING
sequence K
description BINDING => ECO:0007744|PDB:3CMP
source Swiss-Prot : SWS_FT_FI2

69) chain A
residue 125
type BINDING
sequence K
description BINDING => ECO:0000269|PubMed:15642259, ECO:0007744|PDB:1X89, ECO:0007744|PDB:1X8U
source Swiss-Prot : SWS_FT_FI3

70) chain A
residue 138
type BINDING
sequence Y
description BINDING => ECO:0000269|PubMed:15642259, ECO:0007744|PDB:1X89, ECO:0007744|PDB:1X8U
source Swiss-Prot : SWS_FT_FI3

71) chain B
residue 125
type BINDING
sequence K
description BINDING => ECO:0000269|PubMed:15642259, ECO:0007744|PDB:1X89, ECO:0007744|PDB:1X8U
source Swiss-Prot : SWS_FT_FI3

72) chain B
residue 138
type BINDING
sequence Y
description BINDING => ECO:0000269|PubMed:15642259, ECO:0007744|PDB:1X89, ECO:0007744|PDB:1X8U
source Swiss-Prot : SWS_FT_FI3

73) chain C
residue 125
type BINDING
sequence K
description BINDING => ECO:0000269|PubMed:15642259, ECO:0007744|PDB:1X89, ECO:0007744|PDB:1X8U
source Swiss-Prot : SWS_FT_FI3

74) chain C
residue 138
type BINDING
sequence Y
description BINDING => ECO:0000269|PubMed:15642259, ECO:0007744|PDB:1X89, ECO:0007744|PDB:1X8U
source Swiss-Prot : SWS_FT_FI3

75) chain A
residue 21-34
type prosite
sequence NFQDNQFQGKWYVV
description LIPOCALIN Lipocalin signature. NFQdnQFQGKWYVV
source prosite : PS00213

76) chain A
residue 65
type CARBOHYD
sequence N
description N-linked (GlcNAc...) asparagine => ECO:0000269|PubMed:10684642, ECO:0000269|PubMed:15084671, ECO:0000269|PubMed:16335952, ECO:0000269|PubMed:16740002, ECO:0000269|PubMed:19159218, ECO:0000269|PubMed:7683678, ECO:0007744|PDB:1DFV, ECO:0007744|PDB:1QQS
source Swiss-Prot : SWS_FT_FI5

77) chain B
residue 65
type CARBOHYD
sequence N
description N-linked (GlcNAc...) asparagine => ECO:0000269|PubMed:10684642, ECO:0000269|PubMed:15084671, ECO:0000269|PubMed:16335952, ECO:0000269|PubMed:16740002, ECO:0000269|PubMed:19159218, ECO:0000269|PubMed:7683678, ECO:0007744|PDB:1DFV, ECO:0007744|PDB:1QQS
source Swiss-Prot : SWS_FT_FI5

78) chain C
residue 65
type CARBOHYD
sequence N
description N-linked (GlcNAc...) asparagine => ECO:0000269|PubMed:10684642, ECO:0000269|PubMed:15084671, ECO:0000269|PubMed:16335952, ECO:0000269|PubMed:16740002, ECO:0000269|PubMed:19159218, ECO:0000269|PubMed:7683678, ECO:0007744|PDB:1DFV, ECO:0007744|PDB:1QQS
source Swiss-Prot : SWS_FT_FI5


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