3CBC

Crystal structure of Siderocalin (NGAL, Lipocalin 2) Y106F 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	4
Details	BINDING SITE FOR RESIDUE SO4 C 179

Chain	Residue
C	ARG43
C	ASP45
C	PRO162
C	GLU163

---

site_id	AC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 C 180

Chain	Residue
C	PRO162
C	ASN164
C	HIS165
A	LYS75

---

site_id	AC4
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 B 179

Chain	Residue
B	LYS75
B	ASN164
B	HIS165

---

site_id	AC5
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 C 181

Chain	Residue
C	THR145
C	SER146
C	GLU147

---

site_id	AC6
Number of Residues	2
Details	BINDING SITE FOR RESIDUE NA A 180

Chain	Residue
A	THR54
A	TYR138

---

site_id	AC7
Number of Residues	3
Details	BINDING SITE FOR RESIDUE NA C 182

Chain	Residue
C	LYS59
C	ASP61
C	SER63

---

site_id	AC8
Number of Residues	2
Details	BINDING SITE FOR RESIDUE NA C 184

Chain	Residue
C	THR54
C	TYR138

---

site_id	AC9
Number of Residues	2
Details	BINDING SITE FOR RESIDUE NA B 180

Chain	Residue
B	THR54
B	TYR138

---

site_id	BC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE DBS A 301

Chain	Residue
A	ALA40
A	ILE41
A	PHE106
A	PHE123
A	LYS125
A	LYS134

---

site_id	BC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE DBS B 302

Chain	Residue
B	ALA40
B	ILE41
B	PHE106
B	PHE123
B	LYS125
B	LYS134

---

site_id	BC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE DBS C 303

Chain	Residue
C	ALA40
C	ILE41
C	PHE106
C	PHE123
C	LYS125
C	LYS134

---

site_id	BC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL C 304

Chain	Residue
C	PRO85
C	THR93
C	LEU94
C	ILE97
C	SER105
C	PHE106

---

site_id	BC5
Number of Residues	3
Details	BINDING SITE FOR RESIDUE GOL A 302

Chain	Residue
A	THR145
A	SER146
A	GLU147

---

site_id	BC6
Number of Residues	2
Details	BINDING SITE FOR RESIDUE GOL C 305

Chain	Residue
C	GLU60
C	ASP61

---

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	PHE106
A	LYS134
B	PHE106
B	LYS134
C	PHE106
C	LYS134

---

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

---