1S0Y

The structure of trans-3-chloroacrylic acid dehalogenase, covalently inactivated by the mechanism-based inhibitor 3-bromopropiolate at 2.3 Angstrom resolution

External Resource: Annotation

Domain Annotation: SCOP/SCOPe Classification
Domain Annotation: SCOP2 Classification
Domain Annotation: ECOD Classification
Domain Annotation: CATH
Protein Family Annotation
Gene Ontology: Gene Product Annotation
InterPro: Protein Family Classification

Domain Annotation: SCOP/SCOPe Classification SCOP-e Database Homepage

Chains	Domain Info	Class	Fold	Superfamily	Family	Domain	Species	Provenance Source (Version)
A	d1s0ya_	Alpha and beta proteins (a+b)	Tautomerase/MIF	Tautomerase/MIF	4-oxalocrotonate tautomerase-like	Trans-3-chloroacrylic acid dehalogenase alpha-subunit, CaaD1	(Pseudomonas pavonaceae ) [TaxId: 47881 ],	SCOPe (2.08)
C	d1s0yc_	Alpha and beta proteins (a+b)	Tautomerase/MIF	Tautomerase/MIF	4-oxalocrotonate tautomerase-like	Trans-3-chloroacrylic acid dehalogenase alpha-subunit, CaaD1	(Pseudomonas pavonaceae ) [TaxId: 47881 ],	SCOPe (2.08)
E	d1s0ye_	Alpha and beta proteins (a+b)	Tautomerase/MIF	Tautomerase/MIF	4-oxalocrotonate tautomerase-like	Trans-3-chloroacrylic acid dehalogenase alpha-subunit, CaaD1	(Pseudomonas pavonaceae ) [TaxId: 47881 ],	SCOPe (2.08)
G	d1s0yg_	Alpha and beta proteins (a+b)	Tautomerase/MIF	Tautomerase/MIF	4-oxalocrotonate tautomerase-like	Trans-3-chloroacrylic acid dehalogenase alpha-subunit, CaaD1	(Pseudomonas pavonaceae ) [TaxId: 47881 ],	SCOPe (2.08)
I	d1s0yi_	Alpha and beta proteins (a+b)	Tautomerase/MIF	Tautomerase/MIF	4-oxalocrotonate tautomerase-like	Trans-3-chloroacrylic acid dehalogenase alpha-subunit, CaaD1	(Pseudomonas pavonaceae ) [TaxId: 47881 ],	SCOPe (2.08)
K	d1s0yk_	Alpha and beta proteins (a+b)	Tautomerase/MIF	Tautomerase/MIF	4-oxalocrotonate tautomerase-like	Trans-3-chloroacrylic acid dehalogenase alpha-subunit, CaaD1	(Pseudomonas pavonaceae ) [TaxId: 47881 ],	SCOPe (2.08)
F	d1s0yf_	Alpha and beta proteins (a+b)	Tautomerase/MIF	Tautomerase/MIF	4-oxalocrotonate tautomerase-like	Trans-3-chloroacrylic acid dehalogenase beta-subunit, CaaD2	(Pseudomonas pavonaceae ) [TaxId: 47881 ],	SCOPe (2.08)
B	d1s0yb_	Alpha and beta proteins (a+b)	Tautomerase/MIF	Tautomerase/MIF	4-oxalocrotonate tautomerase-like	Trans-3-chloroacrylic acid dehalogenase beta-subunit, CaaD2	(Pseudomonas pavonaceae ) [TaxId: 47881 ],	SCOPe (2.08)
D	d1s0yd_	Alpha and beta proteins (a+b)	Tautomerase/MIF	Tautomerase/MIF	4-oxalocrotonate tautomerase-like	Trans-3-chloroacrylic acid dehalogenase beta-subunit, CaaD2	(Pseudomonas pavonaceae ) [TaxId: 47881 ],	SCOPe (2.08)
H	d1s0yh_	Alpha and beta proteins (a+b)	Tautomerase/MIF	Tautomerase/MIF	4-oxalocrotonate tautomerase-like	Trans-3-chloroacrylic acid dehalogenase beta-subunit, CaaD2	(Pseudomonas pavonaceae ) [TaxId: 47881 ],	SCOPe (2.08)
J	d1s0yj_	Alpha and beta proteins (a+b)	Tautomerase/MIF	Tautomerase/MIF	4-oxalocrotonate tautomerase-like	Trans-3-chloroacrylic acid dehalogenase beta-subunit, CaaD2	(Pseudomonas pavonaceae ) [TaxId: 47881 ],	SCOPe (2.08)
L	d1s0yl_	Alpha and beta proteins (a+b)	Tautomerase/MIF	Tautomerase/MIF	4-oxalocrotonate tautomerase-like	Trans-3-chloroacrylic acid dehalogenase beta-subunit, CaaD2	(Pseudomonas pavonaceae ) [TaxId: 47881 ],	SCOPe (2.08)

Domain Annotation: SCOP2 Classification SCOP2 Database Homepage

Chains	Type	Family Name	Domain Identifier	Family Identifier	Provenance Source (Version)
A	SCOP2 Family	4-oxalocrotonate tautomerase-like	8028818	4001527	SCOP2 (2022-06-29)
A	SCOP2 Superfamily	Tautomerase/MIF	8041197	3001770	SCOP2 (2022-06-29)
C	SCOP2B Superfamily	Tautomerase/MIF	8041197	3001770	SCOP2B (2022-06-29)
E	SCOP2B Superfamily	Tautomerase/MIF	8041197	3001770	SCOP2B (2022-06-29)
G	SCOP2B Superfamily	Tautomerase/MIF	8041197	3001770	SCOP2B (2022-06-29)
I	SCOP2B Superfamily	Tautomerase/MIF	8041197	3001770	SCOP2B (2022-06-29)
K	SCOP2B Superfamily	Tautomerase/MIF	8041197	3001770	SCOP2B (2022-06-29)
F	SCOP2B Superfamily	Tautomerase/MIF	8041198	3001770	SCOP2B (2022-06-29)
B	SCOP2 Family	4-oxalocrotonate tautomerase-like	8028819	4001527	SCOP2 (2022-06-29)
B	SCOP2 Superfamily	Tautomerase/MIF	8041198	3001770	SCOP2 (2022-06-29)
D	SCOP2B Superfamily	Tautomerase/MIF	8041198	3001770	SCOP2B (2022-06-29)
H	SCOP2B Superfamily	Tautomerase/MIF	8041198	3001770	SCOP2B (2022-06-29)
J	SCOP2B Superfamily	Tautomerase/MIF	8041198	3001770	SCOP2B (2022-06-29)
L	SCOP2B Superfamily	Tautomerase/MIF	8041198	3001770	SCOP2B (2022-06-29)

Domain Annotation: ECOD Classification ECOD Database Homepage

Chains	Family Name	Domain Identifier	Architecture	Possible Homology	Homology	Topology	Family	Provenance Source (Version)
A	Tautomerase_2	e1s0yA1	A: a+b two layers	X: Tautomerase/MIF-like	H: Tautomerase/MIF (From Topology)	T: Tautomerase/MIF	F: Tautomerase_2	ECOD (1.6)
C	Tautomerase_2	e1s0yC1	A: a+b two layers	X: Tautomerase/MIF-like	H: Tautomerase/MIF (From Topology)	T: Tautomerase/MIF	F: Tautomerase_2	ECOD (1.6)
E	Tautomerase_2	e1s0yE1	A: a+b two layers	X: Tautomerase/MIF-like	H: Tautomerase/MIF (From Topology)	T: Tautomerase/MIF	F: Tautomerase_2	ECOD (1.6)
G	Tautomerase_2	e1s0yG1	A: a+b two layers	X: Tautomerase/MIF-like	H: Tautomerase/MIF (From Topology)	T: Tautomerase/MIF	F: Tautomerase_2	ECOD (1.6)
I	Tautomerase_2	e1s0yI1	A: a+b two layers	X: Tautomerase/MIF-like	H: Tautomerase/MIF (From Topology)	T: Tautomerase/MIF	F: Tautomerase_2	ECOD (1.6)
K	Tautomerase_2	e1s0yK1	A: a+b two layers	X: Tautomerase/MIF-like	H: Tautomerase/MIF (From Topology)	T: Tautomerase/MIF	F: Tautomerase_2	ECOD (1.6)
F	Tautomerase_2	e1s0yF1	A: a+b two layers	X: Tautomerase/MIF-like	H: Tautomerase/MIF (From Topology)	T: Tautomerase/MIF	F: Tautomerase_2	ECOD (1.6)
B	Tautomerase_2	e1s0yB1	A: a+b two layers	X: Tautomerase/MIF-like	H: Tautomerase/MIF (From Topology)	T: Tautomerase/MIF	F: Tautomerase_2	ECOD (1.6)
D	Tautomerase_2	e1s0yD1	A: a+b two layers	X: Tautomerase/MIF-like	H: Tautomerase/MIF (From Topology)	T: Tautomerase/MIF	F: Tautomerase_2	ECOD (1.6)
H	Tautomerase_2	e1s0yH1	A: a+b two layers	X: Tautomerase/MIF-like	H: Tautomerase/MIF (From Topology)	T: Tautomerase/MIF	F: Tautomerase_2	ECOD (1.6)
J	Tautomerase_2	e1s0yJ1	A: a+b two layers	X: Tautomerase/MIF-like	H: Tautomerase/MIF (From Topology)	T: Tautomerase/MIF	F: Tautomerase_2	ECOD (1.6)
L	Tautomerase_2	e1s0yL1	A: a+b two layers	X: Tautomerase/MIF-like	H: Tautomerase/MIF (From Topology)	T: Tautomerase/MIF	F: Tautomerase_2	ECOD (1.6)

Domain Annotation: CATH CATH Database Homepage

Chain	Domain	Class	Architecture	Topology	Homology	Provenance Source (Version)
A	3.30.429.10	Alpha Beta	2-Layer Sandwich	Macrophage Migration Inhibitory Factor	Macrophage Migration Inhibitory Factor	CATH (4.3.0)
C	3.30.429.10	Alpha Beta	2-Layer Sandwich	Macrophage Migration Inhibitory Factor	Macrophage Migration Inhibitory Factor	CATH (4.3.0)
E	3.30.429.10	Alpha Beta	2-Layer Sandwich	Macrophage Migration Inhibitory Factor	Macrophage Migration Inhibitory Factor	CATH (4.3.0)
G	3.30.429.10	Alpha Beta	2-Layer Sandwich	Macrophage Migration Inhibitory Factor	Macrophage Migration Inhibitory Factor	CATH (4.3.0)
I	3.30.429.10	Alpha Beta	2-Layer Sandwich	Macrophage Migration Inhibitory Factor	Macrophage Migration Inhibitory Factor	CATH (4.3.0)
K	3.30.429.10	Alpha Beta	2-Layer Sandwich	Macrophage Migration Inhibitory Factor	Macrophage Migration Inhibitory Factor	CATH (4.3.0)
F	3.30.429.10	Alpha Beta	2-Layer Sandwich	Macrophage Migration Inhibitory Factor	Macrophage Migration Inhibitory Factor	CATH (4.3.0)
B	3.30.429.10	Alpha Beta	2-Layer Sandwich	Macrophage Migration Inhibitory Factor	Macrophage Migration Inhibitory Factor	CATH (4.3.0)
D	3.30.429.10	Alpha Beta	2-Layer Sandwich	Macrophage Migration Inhibitory Factor	Macrophage Migration Inhibitory Factor	CATH (4.3.0)
H	3.30.429.10	Alpha Beta	2-Layer Sandwich	Macrophage Migration Inhibitory Factor	Macrophage Migration Inhibitory Factor	CATH (4.3.0)
J	3.30.429.10	Alpha Beta	2-Layer Sandwich	Macrophage Migration Inhibitory Factor	Macrophage Migration Inhibitory Factor	CATH (4.3.0)
L	3.30.429.10	Alpha Beta	2-Layer Sandwich	Macrophage Migration Inhibitory Factor	Macrophage Migration Inhibitory Factor	CATH (4.3.0)

Protein Family Annotation Pfam Database Homepage

Chains	Accession	Name	Description	Comments	Source
A, C, E, G, I A, C, E, G, I, K	PF01361	Tautomerase enzyme (Tautomerase)	Tautomerase enzyme	This family includes the enzyme 4-oxalocrotonate tautomerase Swiss:Q01468 that catalyses the ketonisation of 2-hydroxymuconate to 2-oxo-3-hexenedioate.	Domain
B, D, F, H, J B, D, F, H, J, L	PF01361	Tautomerase enzyme (Tautomerase)	Tautomerase enzyme	This family includes the enzyme 4-oxalocrotonate tautomerase Swiss:Q01468 that catalyses the ketonisation of 2-hydroxymuconate to 2-oxo-3-hexenedioate.	Domain

Gene Ontology: Gene Product Annotation Gene Ontology Database Homepage

Chains	Polymer	Molecular Function	Biological Process	Cellular Component
A, C, E, G, I A, C, E, G, I, K	alpha-subunit of trans-3-chloroacrylic acid dehalogenase	isomerase activity catalytic activity	catabolic process metabolic process	-
B, D, F, H, J B, D, F, H, J, L	beta-subunit of trans-3-chloroacrylic acid dehalogenase	isomerase activity catalytic activity	catabolic process metabolic process	-

InterPro: Protein Family Classification InterPro Database Homepage

Chains	Accession	Name	Type
A, C, E, G, I A, C, E, G, I, K	IPR014347	Tautomerase/MIF superfamily	Homologous Superfamily
A, C, E, G, I A, C, E, G, I, K	IPR004370	4-oxalocrotonate tautomerase-like domain	Domain
B, D, F, H, J B, D, F, H, J, L	IPR014347	Tautomerase/MIF superfamily	Homologous Superfamily
B, D, F, H, J B, D, F, H, J, L	IPR004370	4-oxalocrotonate tautomerase-like domain	Domain

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.