3T1D

The mutant structure of human Siderocalin W79A, R81A, Y106F bound to 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	8
Details	BINDING SITE FOR RESIDUE DBS C 179

Chain	Residue
C	PHE106
C	PHE123
C	TYR132
C	PHE133
C	LYS134
C	HOH343
C	HOH349
C	HOH392

---

site_id	AC2
Number of Residues	3
Details	BINDING SITE FOR RESIDUE GOL A 179

Chain	Residue
A	HIS165
B	LYS75
A	ASN164

---

site_id	AC3
Number of Residues	1
Details	BINDING SITE FOR RESIDUE CL A 180

Chain	Residue
A	LYS73

---

site_id	AC4
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CL A 181

Chain	Residue
A	ARG43
A	GLU163

---

site_id	AC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL B 179

Chain	Residue
A	ASN116
B	ASN114
B	GLN117
B	HIS118
B	GOL180
B	HOH223

---

site_id	AC6
Number of Residues	2
Details	BINDING SITE FOR RESIDUE GOL B 180

Chain	Residue
B	GOL179
C	ASN116

---

site_id	AC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL C 180

Chain	Residue
C	LYS75
C	PRO162
C	ASN164
C	HIS165

---

site_id	AC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL A 182

Chain	Residue
A	PRO85
A	THR93
A	LEU94
A	SER105
A	PHE106

---

site_id	AC9
Number of Residues	1
Details	BINDING SITE FOR RESIDUE CL A 183

Chain	Residue
A	SER146

---

site_id	BC1
Number of Residues	3
Details	BINDING SITE FOR RESIDUE GOL A 184

Chain	Residue
A	LYS75
B	ASN164
B	HIS165

---

site_id	BC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL A 185

Chain	Residue
A	GLN20
A	ASN21
A	HOH189
B	LYS30
B	TYR32
B	ASP177

---

site_id	BC3
Number of Residues	9
Details	BINDING SITE FOR RESIDUE TD1 A 186

Chain	Residue
A	ALA40
A	ILE41
A	PHE106
A	PHE123
A	LYS125
A	TYR132
A	LYS134
A	HOH192
A	HOH383

---

site_id	BC4
Number of Residues	9
Details	BINDING SITE FOR RESIDUE DBS B 181

Chain	Residue
B	PHE106
B	PHE123
B	LYS125
B	TYR132
B	PHE133
B	LYS134
B	DBH182
B	HOH188
B	HOH397

---

site_id	BC5
Number of Residues	7
Details	BINDING SITE FOR RESIDUE DBH B 182

Chain	Residue
B	TYR100
B	PHE106
B	LYS134
B	DBS181
B	HOH191
B	HOH395
B	HOH397

---

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

---