3QIO

Crystal Structure of HIV-1 RNase H with engineered E. coli loop and N-hydroxy quinazolinedione inhibitor

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0003676	molecular_function	nucleic acid binding
A	0004523	molecular_function	RNA-DNA hybrid ribonuclease activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE MN A 1

Chain	Residue
A	ASP443
A	GLU478
A	ASP498
A	QID700

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site_id	AC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MN A 2

Chain	Residue
A	ASP443
A	ASP549
A	HOH562
A	HOH563
A	QID700

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site_id	AC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 A 3

Chain	Residue
A	HOH9
A	HOH31
A	HOH39
A	GLY436
A	ARG461

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site_id	AC4
Number of Residues	17
Details	BINDING SITE FOR RESIDUE QID A 700

Chain	Residue
A	MN1
A	MN2
A	HOH17
A	TRP85
A	LYS86
A	HOH117
A	HOH143
A	MET426
A	TYR427
A	ASP443
A	GLU478
A	ASP498
A	HIS539
A	ASP549
A	ARG557
A	HOH562
A	HOH563

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Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	1
Details	Binding site: {}

Chain

Residue

Details

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site_id	SWS_FT_FI2
Number of Residues	3
Details	Binding site: {"evidences":[{"source":"PubMed","id":"1311386","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

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site_id	SWS_FT_FI3
Number of Residues	1
Details	Site: {"description":"Cleavage; by viral protease; partial","evidences":[{"evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

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Catalytic Information from CSA

site_id	MCSA1
Number of Residues
Details	M-CSA 175

Chain

Residue

Details

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site_id	MCSA2
Number of Residues	4
Details	M-CSA 163

Chain	Residue	Details
A	GLU478	increase acidity, increase basicity, unknown
A	ASP498	metal ligand
A	HIS539	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, unknown
A	ASP549	increase acidity, metal ligand, proton acceptor, proton donor

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