1FKG

DESIGN, SYNTHESIS, AND KINETIC EVALUATION OF HIGH-AFFINITY FKBP LIGANDS, AND THE X-RAY CRYSTAL STRUCTURES OF THEIR COMPLEXES WITH FKBP12

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000413	biological_process	protein peptidyl-prolyl isomerization
A	0003007	biological_process	heart morphogenesis
A	0003755	molecular_function	peptidyl-prolyl cis-trans isomerase activity
A	0005160	molecular_function	transforming growth factor beta receptor binding
A	0005515	molecular_function	protein binding
A	0005527	molecular_function	macrolide binding
A	0005528	molecular_function	FK506 binding
A	0005737	cellular_component	cytoplasm
A	0005829	cellular_component	cytosol
A	0006457	biological_process	protein folding
A	0006458	biological_process	'de novo' protein folding
A	0014802	cellular_component	terminal cisterna
A	0016020	cellular_component	membrane
A	0016529	cellular_component	sarcoplasmic reticulum
A	0016853	molecular_function	isomerase activity
A	0019855	molecular_function	calcium channel inhibitor activity
A	0022417	biological_process	protein maturation by protein folding
A	0030018	cellular_component	Z disc
A	0030512	biological_process	negative regulation of transforming growth factor beta receptor signaling pathway
A	0030547	molecular_function	signaling receptor inhibitor activity
A	0032092	biological_process	positive regulation of protein binding
A	0032515	biological_process	negative regulation of phosphoprotein phosphatase activity
A	0032880	biological_process	regulation of protein localization
A	0032926	biological_process	negative regulation of activin receptor signaling pathway
A	0033017	cellular_component	sarcoplasmic reticulum membrane
A	0034713	molecular_function	type I transforming growth factor beta receptor binding
A	0042026	biological_process	protein refolding
A	0042110	biological_process	T cell activation
A	0043123	biological_process	positive regulation of canonical NF-kappaB signal transduction
A	0044325	molecular_function	transmembrane transporter binding
A	0050776	biological_process	regulation of immune response
A	0051280	biological_process	negative regulation of release of sequestered calcium ion into cytosol
A	0055010	biological_process	ventricular cardiac muscle tissue morphogenesis
A	0060314	biological_process	regulation of ryanodine-sensitive calcium-release channel activity
A	0060315	biological_process	negative regulation of ryanodine-sensitive calcium-release channel activity
A	0060347	biological_process	heart trabecula formation
A	0070411	molecular_function	I-SMAD binding
A	0070588	biological_process	calcium ion transmembrane transport
A	0070697	molecular_function	activin receptor binding
A	0097435	biological_process	supramolecular fiber organization
A	0098562	cellular_component	cytoplasmic side of membrane
A	1902991	biological_process	regulation of amyloid precursor protein catabolic process
A	1990000	biological_process	amyloid fibril formation
A	1990425	cellular_component	ryanodine receptor complex

Functional Information from PDB Data

site_id	AC1
Number of Residues	13
Details	BINDING SITE FOR RESIDUE SB3 A 108

Chain	Residue
A	PHE36
A	ASP37
A	PHE46
A	GLY51
A	LYS52
A	VAL55
A	ILE56
A	TRP59
A	TYR82
A	PHE99
A	ARG18
A	GLY19
A	TYR26

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site_id	BP
Number of Residues	6
Details

Chain	Residue
A	TYR26
A	PHE46
A	VAL55
A	ILE56
A	TRP59
A	PHE99

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Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	1
Details	MOD_RES: N6-succinyllysine; alternate => ECO:0000250|UniProtKB:P26883

Chain	Residue	Details
A	GLN53

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Catalytic Information from CSA

site_id	MCSA1
Number of Residues	6
Details	M-CSA 362

Chain	Residue	Details
A	THR27	electrostatic destabiliser, steric role
A	ASP37	electrostatic destabiliser, polar/non-polar interaction, steric role
A	SER38	electrostatic stabiliser, steric role
A	ARG57	electrostatic stabiliser, steric role
A	GLY83	electrostatic stabiliser, steric role
A	ASP100	electrostatic destabiliser, polar/non-polar interaction, steric role

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