9DTW

Co-crystal structure of the ternary complex of human FKBP12, QDPR and Compound 4

This is a non-PDB format compatible entry.

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004155	molecular_function	6,7-dihydropteridine reductase activity
A	0005737	cellular_component	cytoplasm
A	0005739	cellular_component	mitochondrion
A	0005829	cellular_component	cytosol
A	0006520	biological_process	amino acid metabolic process
A	0006729	biological_process	tetrahydrobiopterin biosynthetic process
A	0009055	molecular_function	electron transfer activity
A	0042558	biological_process	pteridine-containing compound metabolic process
A	0051066	biological_process	dihydrobiopterin metabolic process
A	0070062	cellular_component	extracellular exosome
A	0070402	molecular_function	NADPH binding
A	0070404	molecular_function	NADH binding
B	0003007	biological_process	heart morphogenesis
B	0003755	molecular_function	peptidyl-prolyl cis-trans isomerase activity
B	0005160	molecular_function	transforming growth factor beta receptor binding
B	0005246	molecular_function	calcium channel regulator activity
B	0005515	molecular_function	protein binding
B	0005527	molecular_function	macrolide binding
B	0005528	molecular_function	FK506 binding
B	0005737	cellular_component	cytoplasm
B	0005829	cellular_component	cytosol
B	0006457	biological_process	protein folding
B	0006458	biological_process	'de novo' protein folding
B	0010881	biological_process	regulation of cardiac muscle contraction by regulation of the release of sequestered calcium ion
B	0014802	cellular_component	terminal cisterna
B	0014809	biological_process	regulation of skeletal muscle contraction by regulation of release of sequestered calcium ion
B	0016020	cellular_component	membrane
B	0016529	cellular_component	sarcoplasmic reticulum
B	0030018	cellular_component	Z disc
B	0030512	biological_process	negative regulation of transforming growth factor beta receptor signaling pathway
B	0030547	molecular_function	signaling receptor inhibitor activity
B	0032880	biological_process	regulation of protein localization
B	0032926	biological_process	negative regulation of activin receptor signaling pathway
B	0033017	cellular_component	sarcoplasmic reticulum membrane
B	0034713	molecular_function	type I transforming growth factor beta receptor binding
B	0042026	biological_process	protein refolding
B	0042110	biological_process	T cell activation
B	0043123	biological_process	positive regulation of canonical NF-kappaB signal transduction
B	0044325	molecular_function	transmembrane transporter binding
B	0050776	biological_process	regulation of immune response
B	0051604	biological_process	protein maturation
B	0055010	biological_process	ventricular cardiac muscle tissue morphogenesis
B	0060347	biological_process	heart trabecula formation
B	0070411	molecular_function	I-SMAD binding
B	0070697	molecular_function	activin receptor binding
B	0097435	biological_process	supramolecular fiber organization
B	0098562	cellular_component	cytoplasmic side of membrane
B	1902991	biological_process	regulation of amyloid precursor protein catabolic process
B	1990000	biological_process	amyloid fibril formation
B	1990425	cellular_component	ryanodine receptor complex

Functional Information from PROSITE/UniProt

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

Chain	Residue	Details
A	ALA137-ALA165

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Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	1
Details	Active site: {"description":"Proton acceptor"}

Chain

Residue

Details

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site_id	SWS_FT_FI2
Number of Residues	24
Details	Binding site: {}

Chain

Residue

Details

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site_id	SWS_FT_FI3
Number of Residues	4
Details	Modified residue: {"description":"N6-succinyllysine","evidences":[{"source":"UniProtKB","id":"Q8BVI4","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

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site_id	SWS_FT_FI4
Number of Residues	88
Details	Domain: {"description":"PPIase FKBP-type","evidences":[{"source":"PROSITE-ProRule","id":"PRU00277","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

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site_id	SWS_FT_FI5
Number of Residues	1
Details	Modified residue: {"description":"N6-succinyllysine; alternate","evidences":[{"source":"UniProtKB","id":"P26883","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

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Catalytic Information from CSA

site_id	MCSA1
Number of Residues	6
Details	M-CSA 362

Chain	Residue	Details
B	TYR26	electrostatic destabiliser, steric role
B	PHE36	electrostatic destabiliser, polar/non-polar interaction, steric role
B	ASP37	electrostatic stabiliser, steric role
B	ILE56	electrostatic stabiliser, steric role
B	TYR82	electrostatic stabiliser, steric role
B	PHE99	electrostatic destabiliser, polar/non-polar interaction, steric role

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