3I0A

Crystal structure of Siderocalin (NGAL, Lipocalin 2) K134A mutant complexed with Ferric Enterobactin

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0036094	molecular_function	small molecule binding
B	0036094	molecular_function	small molecule binding
C	0036094	molecular_function	small molecule binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 A 179

Chain	Residue
A	PRO162
A	ASN164
A	HIS165
C	LYS75

---

site_id	AC2
Number of Residues	2
Details	BINDING SITE FOR RESIDUE FE A 180

Chain	Residue
A	3ET181
A	2DS182

---

site_id	AC3
Number of Residues	15
Details	BINDING SITE FOR RESIDUE 3ET A 181

Chain	Residue
A	TYR52
A	LEU70
A	ARG72
A	TYR106
A	PHE123
A	LYS125
A	FE180
A	2DS182
A	HOH185
A	HOH214
A	HOH219
A	HOH220
A	ALA40
A	ILE41
A	GLN49

---

site_id	AC4
Number of Residues	13
Details	BINDING SITE FOR RESIDUE 2DS A 182

Chain	Residue
A	SER68
A	ARG72
A	TRP79
A	LEU94
A	TYR100
A	LEU103
A	TYR106
A	LYS125
A	FE180
A	3ET181
A	HOH211
A	HOH214
A	HOH220

---

site_id	AC5
Number of Residues	1
Details	BINDING SITE FOR RESIDUE FE B 179

Chain	Residue
B	DBH180

---

site_id	AC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE DBH B 180

Chain	Residue
B	ALA40
B	TYR106
B	LYS125
B	FE179
B	HOH185

---

site_id	AC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 C 179

Chain	Residue
A	LYS75
C	PRO162
C	ASN164
C	HIS165

---

site_id	AC8
Number of Residues	1
Details	BINDING SITE FOR RESIDUE FE C 180

Chain	Residue
C	MCJ183

---

site_id	AC9
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL C 181

Chain	Residue
C	GLY86
C	SER87
C	THR93
C	LEU94
C	ILE97
C	TYR106
C	HOH217

---

site_id	BC1
Number of Residues	2
Details	BINDING SITE FOR RESIDUE GOL C 182

Chain	Residue
C	GLU60
C	ASP61

---

site_id	BC2
Number of Residues	16
Details	BINDING SITE FOR RESIDUE MCJ C 183

Chain	Residue
C	ALA40
C	SER68
C	ARG72
C	TRP79
C	ARG81
C	LEU94
C	TYR100
C	LEU103
C	TYR106
C	PHE123
C	LYS125
C	TYR132
C	FE180
C	HOH191
C	HOH202
C	HOH240

---

Functional Information from PROSITE/UniProt

site_id	PS00213
Number of Residues	14
Details	LIPOCALIN Lipocalin signature. NFQdnQFQGKWYVV

Chain	Residue	Details
A	ASN21-VAL34

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	3
Details	BINDING: BINDING => ECO:0007744|PDB:1X89, ECO:0007744|PDB:1X8U

Chain	Residue	Details
A	TYR52
B	TYR52
C	TYR52

---

site_id	SWS_FT_FI2
Number of Residues	6
Details	BINDING: BINDING => ECO:0007744|PDB:3CMP

Chain	Residue	Details
A	TYR106
A	ALA134
B	TYR106
B	ALA134
C	TYR106
C	ALA134

---

site_id	SWS_FT_FI3
Number of Residues	6
Details	BINDING: BINDING => ECO:0000269|PubMed:15642259, ECO:0007744|PDB:1X89, ECO:0007744|PDB:1X8U

Chain	Residue	Details
A	LYS125
A	TYR138
B	LYS125
B	TYR138
C	LYS125
C	TYR138

---

site_id	SWS_FT_FI4
Number of Residues	3
Details	MOD_RES: Pyrrolidone carboxylic acid => ECO:0000269|PubMed:7683678

Chain	Residue	Details
A	GLN1
B	GLN1
C	GLN1

---

site_id	SWS_FT_FI5
Number of Residues	3
Details	CARBOHYD: 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

Chain	Residue	Details
A	ASN65
B	ASN65
C	ASN65

---