3SPL

Crystal structure of aprataxin ortholog Hnt3 in complex with DNA and AMP

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0003824	molecular_function	catalytic activity
B	0003824	molecular_function	catalytic activity
C	0003824	molecular_function	catalytic activity
D	0003824	molecular_function	catalytic activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN A 601

Chain	Residue
A	CYS200
A	CYS203
A	HIS217
A	GLU221

---

site_id	AC2
Number of Residues	17
Details	BINDING SITE FOR RESIDUE AMP A 800

Chain	Residue
A	LYS67
A	HIS71
A	HIS138
A	PRO141
A	SER142
A	MET143
A	HIS147
A	HIS149
A	HOH237
A	HOH251
A	HOH544
E	HOH329
A	LEU38
A	TYR41
A	ASP63
A	MET64
A	PHE65

---

site_id	AC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 A 901

Chain	Residue
A	HIS93
A	SER95
A	LEU96
A	HOH518
A	HOH733

---

site_id	AC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 A 902

Chain	Residue
A	SER121
A	GLN122
A	HOH377
A	HOH738

---

site_id	AC5
Number of Residues	8
Details	BINDING SITE FOR RESIDUE SO4 A 903

Chain	Residue
A	HIS85
A	ALA139
A	GLY140
A	PRO141
A	ARG187
A	GLY188
A	HOH261
B	LYS199

---

site_id	AC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 A 904

Chain	Residue
A	ARG202
A	TRP225
A	LYS228
A	HOH454
A	HOH658
D	HIS83

---

site_id	AC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN B 601

Chain	Residue
B	CYS200
B	CYS203
B	HIS217
B	GLU221

---

site_id	AC8
Number of Residues	17
Details	BINDING SITE FOR RESIDUE AMP B 800

Chain	Residue
B	LEU38
B	TYR41
B	ASP63
B	MET64
B	PHE65
B	LYS67
B	HIS71
B	HIS138
B	PRO141
B	SER142
B	MET143
B	HIS147
B	HIS149
B	HOH238
B	HOH245
B	HOH345
B	HOH510

---

site_id	AC9
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 B 901

Chain	Residue
B	HIS93
B	SER95
B	LEU96
B	HOH281
B	HOH752

---

site_id	BC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 B 902

Chain	Residue
B	SER121
B	GLN122
B	HOH247
B	HOH569
B	HOH697
C	HOH351

---

site_id	BC2
Number of Residues	7
Details	BINDING SITE FOR RESIDUE SO4 B 903

Chain	Residue
B	HIS85
B	GLY140
B	PRO141
B	ARG187
B	GLY188
B	HOH258
C	LYS199

---

site_id	BC3
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 B 904

Chain	Residue
A	HIS83
B	ARG202
B	TRP225

---

site_id	BC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN C 601

Chain	Residue
C	CYS200
C	CYS203
C	HIS217
C	GLU221

---

site_id	BC5
Number of Residues	16
Details	BINDING SITE FOR RESIDUE AMP C 800

Chain	Residue
C	SER142
C	MET143
C	HIS147
C	HIS149
C	HOH247
C	HOH257
C	HOH424
C	LEU38
C	TYR41
C	ASP63
C	MET64
C	PHE65
C	LYS67
C	HIS71
C	HIS138
C	PRO141

---

site_id	BC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 C 901

Chain	Residue
C	HIS93
C	SER95
C	LEU96
C	HOH277
C	HOH786

---

site_id	BC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 C 902

Chain	Residue
B	HOH422
C	SER121
C	GLN122
C	HOH790

---

site_id	BC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 C 903

Chain	Residue
C	HIS85
C	ALA139
C	GLY140
C	ARG187
C	HOH294

---

site_id	BC9
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 C 904

Chain	Residue
B	HIS83
C	ARG202
C	TRP225

---

site_id	CC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN D 601

Chain	Residue
D	CYS200
D	CYS203
D	HIS217
D	GLU221

---

site_id	CC2
Number of Residues	16
Details	BINDING SITE FOR RESIDUE AMP D 800

Chain	Residue
D	LEU38
D	TYR41
D	ASP63
D	MET64
D	PHE65
D	LYS67
D	HIS71
D	HIS138
D	PRO141
D	SER142
D	MET143
D	HIS147
D	HIS149
D	HOH246
D	HOH319
D	HOH531

---

site_id	CC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 D 901

Chain	Residue
D	LEU81
D	HIS93
D	SER95
D	LEU96
D	HOH254
D	HOH776

---

site_id	CC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 D 902

Chain	Residue
D	SER121
D	GLN122
D	HOH477
D	HOH589

---

site_id	CC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 D 903

Chain	Residue
A	LYS199
D	HIS85
D	GLY140
D	ARG187
D	GLY188
D	HOH268

---

site_id	CC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 D 904

Chain	Residue
C	HIS83
C	HOH634
D	ARG202
D	TRP225

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	488
Details	Domain: {"description":"HIT"}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	88
Details	Region: {"description":"Interaction with DNA","evidences":[{"source":"PubMed","id":"21984208","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"21984210","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"26007660","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	4
Details	Active site: {"description":"Nucleophile","evidences":[{"source":"PubMed","id":"21984210","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"26007660","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	16
Details	Binding site: {"evidences":[{"source":"PubMed","id":"21984210","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"26007660","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"3SPD","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3SPL","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4XBA","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	4
Details	Site: {"description":"Interaction with DNA","evidences":[{"source":"PubMed","id":"21984210","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"26007660","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---