9HUU

Trypanosoma brucei PTR1 (TbPTR1) in complex with inhibitor F223

This is a non-PDB format compatible entry.

Functional Information from PROSITE/UniProt

site_id	PS00061
Number of Residues	29
Details	ADH_SHORT Short-chain dehydrogenases/reductases family signature. DamvdqpcmaFslYNMGKHALvGLTqSAA

Chain	Residue	Details
A	ASP161-ALA189

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Catalytic Information from CSA

site_id	MCSA1
Number of Residues	3
Details	M-CSA 237

Chain	Residue	Details
A	ARG14	electrostatic stabiliser, hydrogen bond donor, steric role
A	ASP161	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay
A	LYS178	electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay

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site_id	MCSA2
Number of Residues	3
Details	M-CSA 237

Chain	Residue	Details
B	ARG14	electrostatic stabiliser, hydrogen bond donor, steric role
B	ASP161	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay
B	LYS178	electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay

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site_id	MCSA3
Number of Residues	3
Details	M-CSA 237

Chain	Residue	Details
C	ARG14	electrostatic stabiliser, hydrogen bond donor, steric role
C	ASP161	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay
C	LYS178	electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay

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site_id	MCSA4
Number of Residues	3
Details	M-CSA 237

Chain	Residue	Details
D	ARG14	electrostatic stabiliser, hydrogen bond donor, steric role
D	ASP161	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay
D	LYS178	electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay

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