3VDZ

Tailoring Encodable Lanthanide-Binding Tags as MRI Contrast Agents: xq-dSE3-Ubiquitin at 2.4 Angstroms

Functional Information from PDB Data

site_id	AC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GD A 201

Chain	Residue
A	ASP71
A	ASP73
A	ASP75
A	SER77
A	ASP79
A	GLU82

---

site_id	AC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GD A 202

Chain	Residue
A	SER92
A	GLU97
A	HOH322
A	ASP86
A	ASP88
A	ASP90

---

site_id	AC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 A 203

Chain	Residue
A	ARG172
A	ARG174
A	GLY175
A	HOH305

---

site_id	AC4
Number of Residues	7
Details	BINDING SITE FOR RESIDUE SO4 A 204

Chain	Residue
A	LYS127
A	GLN141
A	ARG142
A	ASP152
A	ARG172
A	HOH315
A	HOH320

---

site_id	AC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GD B 201

Chain	Residue
B	ASP71
B	ASP73
B	ASP75
B	SER77
B	ASP79
B	GLU82

---

site_id	AC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GD B 202

Chain	Residue
B	ASP86
B	ASP88
B	ASP90
B	SER92
B	GLU97
B	HOH317

---

site_id	AC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 B 203

Chain	Residue
B	LYS127
B	GLN141
B	ARG142
B	ASP152
B	ARG172

---

site_id	AC8
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 B 204

Chain	Residue
B	GLY91
B	ARG172
B	ARG174
B	GLY175

---

Functional Information from PROSITE/UniProt

site_id	PS00018
Number of Residues	13
Details	EF_HAND_1 EF-hand calcium-binding domain. DTDNDGSIDgdEL

Chain	Residue	Details
A	ASP71-LEU83
A	ASP86-LEU98

---

site_id	PS00299
Number of Residues	26
Details	UBIQUITIN_1 Ubiquitin domain signature. KakIqDkegIPpdqQrLIFaGkqleD

Chain	Residue	Details
A	LYS127-ASP152

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	4
Details	SITE: Interacts with activating enzyme

Chain	Residue	Details
A	ARG154
A	ARG172
B	ARG154
B	ARG172

---

site_id	SWS_FT_FI2
Number of Residues	2
Details	SITE: Essential for function

Chain	Residue	Details
A	HIS168
B	HIS168

---

site_id	SWS_FT_FI3
Number of Residues	2
Details	MOD_RES: Phosphoserine; by PINK1 => ECO:0000269|PubMed:24660806, ECO:0000269|PubMed:24751536, ECO:0000269|PubMed:24784582, ECO:0000269|PubMed:25474007, ECO:0000269|PubMed:25527291

Chain	Residue	Details
A	SER165
B	SER165

---

site_id	SWS_FT_FI4
Number of Residues	2
Details	MOD_RES: (Microbial infection) ADP-ribosylthreonine => ECO:0000269|PubMed:32330457

Chain	Residue	Details
A	THR166
B	THR166

---

site_id	SWS_FT_FI5
Number of Residues	2
Details	MOD_RES: ADP-ribosylglycine => ECO:0000269|PubMed:28525742

Chain	Residue	Details
A	GLY176
B	GLY176

---

site_id	SWS_FT_FI6
Number of Residues	2
Details	CROSSLNK: Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in ubiquitin) => ECO:0000269|PubMed:16443603

Chain	Residue	Details
A	LYS106
B	LYS106

---

site_id	SWS_FT_FI7
Number of Residues	4
Details	CROSSLNK: Glycyl lysine isopeptide (Gly-Lys) (interchain with K-? in acceptor proteins)

Chain	Residue	Details
A	GLY176
B	GLY176

---

site_id	SWS_FT_FI8
Number of Residues	4
Details	CROSSLNK: Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in ubiquitin) => ECO:0000269|PubMed:16443603, ECO:0000269|PubMed:16543144

Chain	Residue	Details
A	LYS111
A	LYS148
B	LYS111
B	LYS148

---

site_id	SWS_FT_FI9
Number of Residues	2
Details	CROSSLNK: Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in ubiquitin) => ECO:0000305|PubMed:15466860

Chain	Residue	Details
A	LYS127
B	LYS127

---

site_id	SWS_FT_FI10
Number of Residues	2
Details	CROSSLNK: Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in ubiquitin) => ECO:0000269|PubMed:16543144, ECO:0000269|PubMed:25752573, ECO:0000269|PubMed:25752577, ECO:0000269|PubMed:34239127

Chain	Residue	Details
A	LYS129
B	LYS129

---

site_id	SWS_FT_FI11
Number of Residues	2
Details	CROSSLNK: Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in ubiquitin) => ECO:0000269|PubMed:25752577

Chain	Residue	Details
A	LYS133
B	LYS133

---

site_id	SWS_FT_FI12
Number of Residues	2
Details	CROSSLNK: Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in ubiquitin) => ECO:0000269|PubMed:16543144, ECO:0000269|PubMed:18719106

Chain	Residue	Details
A	LYS163
B	LYS163

---