3U0D

The structure of human Siderocalin bound to the bacterial siderophore 2,3-DHBA

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
D	0036094	molecular_function	small molecule binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	3
Details	BINDING SITE FOR RESIDUE FE A 179

Chain	Residue
A	DBH180
A	DBH181
A	DBH182

---

site_id	AC2
Number of Residues	8
Details	BINDING SITE FOR RESIDUE DBH A 180

Chain	Residue
A	DBH181
A	DBH182
A	SER68
A	ARG72
A	TRP79
A	ARG81
A	LYS134
A	FE179

---

site_id	AC3
Number of Residues	9
Details	BINDING SITE FOR RESIDUE DBH A 181

Chain	Residue
A	TRP79
A	ARG81
A	LEU94
A	LEU103
A	TYR106
A	LYS125
A	FE179
A	DBH180
A	DBH182

---

site_id	AC4
Number of Residues	8
Details	BINDING SITE FOR RESIDUE DBH A 182

Chain	Residue
A	TYR106
A	LYS125
A	LYS134
A	FE179
A	DBH180
A	DBH181
A	HOH185
A	HOH187

---

site_id	AC5
Number of Residues	3
Details	BINDING SITE FOR RESIDUE FE D 179

Chain	Residue
D	DBH180
D	DBH181
D	DBH182

---

site_id	AC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE DBH D 180

Chain	Residue
D	SER68
D	TRP79
D	LYS134
D	FE179
D	DBH181
D	DBH182

---

site_id	AC7
Number of Residues	8
Details	BINDING SITE FOR RESIDUE DBH D 181

Chain	Residue
D	TRP79
D	ARG81
D	TYR100
D	TYR106
D	LYS125
D	FE179
D	DBH180
D	DBH182

---

site_id	AC8
Number of Residues	8
Details	BINDING SITE FOR RESIDUE DBH D 182

Chain	Residue
D	TYR106
D	LYS125
D	LYS134
D	FE179
D	DBH180
D	DBH181
D	HOH185
D	HOH197

---

site_id	AC9
Number of Residues	3
Details	BINDING SITE FOR RESIDUE FE B 179

Chain	Residue
B	DBH180
B	DBH181
B	DBH182

---

site_id	BC1
Number of Residues	9
Details	BINDING SITE FOR RESIDUE DBH B 180

Chain	Residue
B	TRP79
B	ARG81
B	TYR106
B	LYS125
B	FE179
B	DBH181
B	DBH182
B	HOH214
B	HOH217

---

site_id	BC2
Number of Residues	7
Details	BINDING SITE FOR RESIDUE DBH B 181

Chain	Residue
B	ALA40
B	TYR106
B	LYS134
B	FE179
B	DBH180
B	DBH182
B	HOH187

---

site_id	BC3
Number of Residues	7
Details	BINDING SITE FOR RESIDUE DBH B 182

Chain	Residue
B	ARG72
B	TRP79
B	LYS134
B	FE179
B	DBH180
B	DBH181
B	HOH214

---

site_id	BC4
Number of Residues	3
Details	BINDING SITE FOR RESIDUE FE C 179

Chain	Residue
C	DBH180
C	DBH181
C	DBH182

---

site_id	BC5
Number of Residues	7
Details	BINDING SITE FOR RESIDUE DBH C 180

Chain	Residue
C	ARG72
C	TRP79
C	LYS134
C	FE179
C	DBH181
C	DBH182
C	HOH202

---

site_id	BC6
Number of Residues	10
Details	BINDING SITE FOR RESIDUE DBH C 181

Chain	Residue
C	TRP79
C	ARG81
C	LEU94
C	LEU103
C	TYR106
C	LYS125
C	FE179
C	DBH180
C	DBH182
C	HOH202

---

site_id	BC7
Number of Residues	8
Details	BINDING SITE FOR RESIDUE DBH C 182

Chain	Residue
C	TYR106
C	LYS125
C	LYS134
C	FE179
C	DBH180
C	DBH181
C	HOH183
C	HOH197

---

site_id	BC8
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CL A 183

Chain	Residue
A	THR54
A	TYR138

---

site_id	BC9
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CL B 183

Chain	Residue
B	THR54
B	TYR138

---

site_id	CC1
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CL D 183

Chain	Residue
D	THR54
D	TYR138

---

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	4
Details	BINDING: BINDING => ECO:0007744|PDB:1X89, ECO:0007744|PDB:1X8U

Chain	Residue	Details
A	TYR52
B	TYR52
C	TYR52
D	TYR52

---

site_id	SWS_FT_FI2
Number of Residues	8
Details	BINDING: BINDING => ECO:0007744|PDB:3CMP

Chain	Residue	Details
A	TYR106
A	LYS134
B	TYR106
B	LYS134
C	TYR106
C	LYS134
D	TYR106
D	LYS134

---

site_id	SWS_FT_FI3
Number of Residues	8
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
D	LYS125
D	TYR138

---

site_id	SWS_FT_FI4
Number of Residues	4
Details	MOD_RES: Pyrrolidone carboxylic acid => ECO:0000269|PubMed:7683678

Chain	Residue	Details
A	GLN1
B	GLN1
C	GLN1
D	GLN1

---

site_id	SWS_FT_FI5
Number of Residues	4
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
D	ASN65

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