Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

5JIB

Crystal structure of the Thermotoga maritima acetyl esterase (TM0077) complex with a substrate analog

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0005509	molecular_function	calcium ion binding
A	0005737	cellular_component	cytoplasm
A	0005976	biological_process	polysaccharide metabolic process
A	0016788	molecular_function	hydrolase activity, acting on ester bonds
A	0030245	biological_process	cellulose catabolic process
A	0045491	biological_process	xylan metabolic process
A	0046555	molecular_function	acetylxylan esterase activity
A	0046872	molecular_function	metal ion binding
A	0047739	molecular_function	cephalosporin-C deacetylase activity
A	0052689	molecular_function	carboxylic ester hydrolase activity
A	1901266	biological_process	cephalosporin C metabolic process
B	0005509	molecular_function	calcium ion binding
B	0005737	cellular_component	cytoplasm
B	0005976	biological_process	polysaccharide metabolic process
B	0016788	molecular_function	hydrolase activity, acting on ester bonds
B	0030245	biological_process	cellulose catabolic process
B	0045491	biological_process	xylan metabolic process
B	0046555	molecular_function	acetylxylan esterase activity
B	0046872	molecular_function	metal ion binding
B	0047739	molecular_function	cephalosporin-C deacetylase activity
B	0052689	molecular_function	carboxylic ester hydrolase activity
B	1901266	biological_process	cephalosporin C metabolic process
C	0005509	molecular_function	calcium ion binding
C	0005737	cellular_component	cytoplasm
C	0005976	biological_process	polysaccharide metabolic process
C	0016788	molecular_function	hydrolase activity, acting on ester bonds
C	0030245	biological_process	cellulose catabolic process
C	0045491	biological_process	xylan metabolic process
C	0046555	molecular_function	acetylxylan esterase activity
C	0046872	molecular_function	metal ion binding
C	0047739	molecular_function	cephalosporin-C deacetylase activity
C	0052689	molecular_function	carboxylic ester hydrolase activity
C	1901266	biological_process	cephalosporin C metabolic process
D	0005509	molecular_function	calcium ion binding
D	0005737	cellular_component	cytoplasm
D	0005976	biological_process	polysaccharide metabolic process
D	0016788	molecular_function	hydrolase activity, acting on ester bonds
D	0030245	biological_process	cellulose catabolic process
D	0045491	biological_process	xylan metabolic process
D	0046555	molecular_function	acetylxylan esterase activity
D	0046872	molecular_function	metal ion binding
D	0047739	molecular_function	cephalosporin-C deacetylase activity
D	0052689	molecular_function	carboxylic ester hydrolase activity
D	1901266	biological_process	cephalosporin C metabolic process
E	0005509	molecular_function	calcium ion binding
E	0005737	cellular_component	cytoplasm
E	0005976	biological_process	polysaccharide metabolic process
E	0016788	molecular_function	hydrolase activity, acting on ester bonds
E	0030245	biological_process	cellulose catabolic process
E	0045491	biological_process	xylan metabolic process
E	0046555	molecular_function	acetylxylan esterase activity
E	0046872	molecular_function	metal ion binding
E	0047739	molecular_function	cephalosporin-C deacetylase activity
E	0052689	molecular_function	carboxylic ester hydrolase activity
E	1901266	biological_process	cephalosporin C metabolic process
F	0005509	molecular_function	calcium ion binding
F	0005737	cellular_component	cytoplasm
F	0005976	biological_process	polysaccharide metabolic process
F	0016788	molecular_function	hydrolase activity, acting on ester bonds
F	0030245	biological_process	cellulose catabolic process
F	0045491	biological_process	xylan metabolic process
F	0046555	molecular_function	acetylxylan esterase activity
F	0046872	molecular_function	metal ion binding
F	0047739	molecular_function	cephalosporin-C deacetylase activity
F	0052689	molecular_function	carboxylic ester hydrolase activity
F	1901266	biological_process	cephalosporin C metabolic process

Functional Information from PDB Data

site_id	AC1
Number of Residues	7
Details	binding site for residue OIA A 400

Chain	Residue
A	GLY91
A	TYR92
A	SER188
A	GLN189
A	HIS227
A	HIS303
A	HOH603

site_id	AC2
Number of Residues	7
Details	binding site for residue OIA B 400

Chain	Residue
B	SER188
B	GLN189
B	HIS227
B	HIS303
B	HOH517
B	GLY91
B	TYR92

site_id	AC3
Number of Residues	7
Details	binding site for residue OIA C 400

Chain	Residue
C	GLY91
C	TYR92
C	SER188
C	GLN189
C	HIS227
C	HIS303
C	HOH501

site_id	AC4
Number of Residues	7
Details	binding site for residue OIA D 400

Chain	Residue
D	GLY91
D	TYR92
D	SER188
D	GLN189
D	HIS227
D	HIS303
D	HOH519

site_id	AC5
Number of Residues	7
Details	binding site for residue OIA E 400

Chain	Residue
E	GLY91
E	TYR92
E	SER188
E	GLN189
E	HIS227
E	HIS303
E	HOH548

site_id	AC6
Number of Residues	7
Details	binding site for residue OIA F 400

Chain	Residue
F	GLY91
F	TYR92
F	SER188
F	GLN189
F	HIS227
F	HIS303
F	HOH556

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	6
Details	ACT_SITE: Nucleophile => ECO:0000269\|PubMed:22411095

Chain	Residue	Details
A	SER188
B	SER188
C	SER188
D	SER188
E	SER188
F	SER188

site_id	SWS_FT_FI2
Number of Residues	12
Details	ACT_SITE: Charge relay system => ECO:0000250\|UniProtKB:P94388

Chain	Residue	Details
A	ASP274
E	HIS303
F	ASP274
F	HIS303
A	HIS303
B	ASP274
B	HIS303
C	ASP274
C	HIS303
D	ASP274
D	HIS303
E	ASP274

site_id	SWS_FT_FI3
Number of Residues	6
Details	BINDING: BINDING => ECO:0000250\|UniProtKB:P94388

Chain	Residue	Details
A	TYR92
B	TYR92
C	TYR92
D	TYR92
E	TYR92
F	TYR92

site_id	SWS_FT_FI4
Number of Residues	6
Details	BINDING: covalent => ECO:0000269\|PubMed:22411095

Chain	Residue	Details
A	SER188
B	SER188
C	SER188
D	SER188
E	SER188
F	SER188

		Sequence (fasta)
		PDBx/mmCIF
		PDBML format (no-atom)
		PDB format (full)
		Validation report (PDF)
		EDMap 2fo-fc (MTZ)