eF-site ID 3tzs-A
PDB Code 3tzs
Chain A

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Title Crystal structure of Neutrophil gelatinase-associated lipocalin NGAL (C87S mutant) in complex with fragment 1026, phenylurea
Classification APOPTOSIS
Compound Neutrophil gelatinase-associated lipocalin
Source (NGAL_HUMAN)
Sequence A:  TSDLIPAPPLSKVPLQQNFQDNQFQGKWYVVGLAGNAILR
EDKDPQKMYATIYELKEDKSYNVTSVLFRKKKCDYWIRTF
VPGSQPGEFTLGNIKSYPGLTSYLVRVVSTNYNQHAMVFF
KKVSQNREYFKITLYGRTKELTSELKENFIRFSKSLGLPE
NHIVFPVPIDQCID
Description


Functional site

1) chain A
residue 41
type
sequence I
description BINDING SITE FOR RESIDUE PHU A 201
source : AC1

2) chain A
residue 123
type
sequence F
description BINDING SITE FOR RESIDUE PHU A 201
source : AC1

3) chain A
residue 125
type
sequence K
description BINDING SITE FOR RESIDUE PHU A 201
source : AC1

4) chain A
residue 132
type
sequence Y
description BINDING SITE FOR RESIDUE PHU A 201
source : AC1

5) chain A
residue 75
type
sequence K
description BINDING SITE FOR RESIDUE SO4 A 206
source : AC2

6) chain A
residue 54
type
sequence T
description BINDING SITE FOR RESIDUE CL A 183
source : AC3

7) chain A
residue 81
type
sequence R
description BINDING SITE FOR RESIDUE CL A 183
source : AC3

8) chain A
residue 138
type
sequence Y
description BINDING SITE FOR RESIDUE CL A 183
source : AC3

9) chain A
residue 79
type
sequence W
description BINDING SITE FOR RESIDUE SO4 A 184
source : AC4

10) chain A
residue 81
type
sequence R
description BINDING SITE FOR RESIDUE SO4 A 184
source : AC4

11) chain A
residue 106
type
sequence Y
description BINDING SITE FOR RESIDUE SO4 A 184
source : AC4

12) chain A
residue 125
type
sequence K
description BINDING SITE FOR RESIDUE SO4 A 184
source : AC4

13) chain A
residue 134
type
sequence K
description BINDING SITE FOR RESIDUE SO4 A 184
source : AC4

14) chain A
residue 23
type
sequence Q
description BINDING SITE FOR RESIDUE PHU A 185
source : AC5

15) chain A
residue 26
type
sequence Q
description BINDING SITE FOR RESIDUE PHU A 185
source : AC5

16) chain A
residue 93
type
sequence T
description BINDING SITE FOR RESIDUE EDO A 186
source : AC6

17) chain A
residue 94
type
sequence L
description BINDING SITE FOR RESIDUE EDO A 186
source : AC6

18) chain A
residue 105
type
sequence S
description BINDING SITE FOR RESIDUE EDO A 186
source : AC6

19) chain A
residue 106
type
sequence Y
description BINDING SITE FOR RESIDUE EDO A 186
source : AC6

20) chain A
residue 164
type
sequence N
description BINDING SITE FOR RESIDUE SO4 C 206
source : BC3

21) chain A
residue 165
type
sequence H
description BINDING SITE FOR RESIDUE SO4 C 206
source : BC3

22) chain A
residue 55
type
sequence I
description BINDING SITE FOR RESIDUE SO4 C 187
source : BC8

23) chain A
residue 175
type
sequence C
description BINDING SITE FOR RESIDUE SO4 C 187
source : BC8

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

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

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

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

28) 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

29) 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

30) 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


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