3FCI

Complex of UNG2 and a fragment-based designed inhibitor

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004844	molecular_function	uracil DNA N-glycosylase activity
A	0006281	biological_process	DNA repair
A	0006284	biological_process	base-excision repair
A	0016799	molecular_function	hydrolase activity, hydrolyzing N-glycosyl compounds

Functional Information from PDB Data

site_id	AC1
Number of Residues	19
Details	BINDING SITE FOR RESIDUE 3FI A 1

Chain	Residue
A	HOH75
A	GLY246
A	SER247
A	TYR248
A	HIS268
A	SER273
A	LYS293
A	HOH497
A	HOH598
A	HOH648
A	HOH704
A	HOH79
A	GLY143
A	GLN144
A	ASP145
A	TYR147
A	CYS157
A	PHE158
A	ASN204

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site_id	AC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE NA A 305

Chain	Residue
A	GLU111
A	LYS114
A	HOH513
A	HOH583

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site_id	AC3
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SCN A 2

Chain	Residue
A	VAL109
A	ARG113
A	HOH563

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site_id	AC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SCN A 3

Chain	Residue
A	PRO100
A	TYR101
A	GLN224
A	LYS297
A	HOH494
A	HOH561

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Functional Information from PROSITE/UniProt

site_id	PS00130
Number of Residues	10
Details	U_DNA_GLYCOSYLASE Uracil-DNA glycosylase signature. KVVIlGQDPY

Chain	Residue	Details
A	LYS138-TYR147

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Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	1
Details	ACT_SITE: Proton acceptor => ECO:0000255|HAMAP-Rule:MF_03166, ECO:0000269|PubMed:9724657, ECO:0000312|PDB:1SSP

Chain	Residue	Details
A	ASP145

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site_id	SWS_FT_FI2
Number of Residues	4
Details	BINDING: BINDING => ECO:0000269|PubMed:8900285, ECO:0000269|PubMed:9724657, ECO:0000312|PDB:1SSP, ECO:0000312|PDB:4SKN

Chain	Residue	Details
A	GLN144
A	PHE158
A	ASN204
A	HIS268

---

site_id	SWS_FT_FI3
Number of Residues	6
Details	BINDING: BINDING => ECO:0000269|PubMed:8900285, ECO:0000312|PDB:4SKN

Chain	Residue	Details
A	HIS148
A	SER169
A	SER247
A	SER270
A	SER273
A	ARG276

---

site_id	SWS_FT_FI4
Number of Residues	1
Details	MOD_RES: N6-acetyllysine => ECO:0007744|PubMed:19608861

Chain	Residue	Details
A	LYS286

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Catalytic Information from CSA

site_id	CSA1
Number of Residues	2
Details	Annotated By Reference To The Literature 1eug

Chain	Residue	Details
A	ASP145
A	HIS268

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