eF-site ID 3fw4-A
PDB Code 3fw4
Chain A

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Title Crystal structure of Siderocalin (NGAL, Lipocalin 2) complexed with Ferric Catechol
Classification TRANSPORT PROTEIN
Compound Neutrophil gelatinase-associated lipocalin
Source Homo sapiens (Human) (NGAL_HUMAN)
Sequence A:  SDLIPAPPLSKVPLQQNFQDNQFQGKWYVVGLAGNAILRE
DKDPQKMYATIYELKEDKSYNVTSVLFRKKKCDYWIRTFV
PGSQPGEFTLGNIKSYPGLTSYLVRVVSTNYNQHAMVFFK
KVSQNREYFKITLYGRTKELTSELKENFIRFSKSLGLPEN
HIVFPVPIDQCIDG
Description


Functional site

1) chain A
residue 106
type
sequence Y
description BINDING SITE FOR RESIDUE FE A 179
source : AC1

2) chain A
residue 106
type
sequence Y
description BINDING SITE FOR RESIDUE CAQ A 180
source : AC2

3) chain A
residue 123
type
sequence F
description BINDING SITE FOR RESIDUE CAQ A 180
source : AC2

4) chain A
residue 125
type
sequence K
description BINDING SITE FOR RESIDUE CAQ A 180
source : AC2

5) chain A
residue 132
type
sequence Y
description BINDING SITE FOR RESIDUE CAQ A 180
source : AC2

6) chain A
residue 134
type
sequence K
description BINDING SITE FOR RESIDUE CAQ A 180
source : AC2

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

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

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

10) chain A
residue 142
type
sequence K
description BINDING SITE FOR RESIDUE GOL A 184
source : AC4

11) chain A
residue 143
type
sequence E
description BINDING SITE FOR RESIDUE GOL A 184
source : AC4

12) chain A
residue 173
type
sequence D
description BINDING SITE FOR RESIDUE GOL A 184
source : AC4

13) chain A
residue 96
type
sequence N
description BINDING SITE FOR RESIDUE GOL A 185
source : AC5

14) chain A
residue 99
type
sequence S
description BINDING SITE FOR RESIDUE GOL A 185
source : AC5

15) chain A
residue 145
type
sequence T
description BINDING SITE FOR RESIDUE GOL A 186
source : AC6

16) chain A
residue 146
type
sequence S
description BINDING SITE FOR RESIDUE GOL A 186
source : AC6

17) chain A
residue 147
type
sequence E
description BINDING SITE FOR RESIDUE GOL A 186
source : AC6

18) chain A
residue 125
type
sequence K
description BINDING SITE FOR RESIDUE CL A 188
source : AC7

19) chain A
residue 118
type
sequence H
description BINDING SITE FOR RESIDUE CL A 190
source : AC8

20) chain A
residue 117
type
sequence Q
description BINDING SITE FOR RESIDUE NA C 181
source : BC5

21) chain A
residue 75
type
sequence K
description BINDING SITE FOR RESIDUE NA C 182
source : BC6

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

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

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

25) 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

26) 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

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

28) 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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