3e2a

H. influenzae beta-carbonic anhydrase, variant Y181F with 100 mM bicarbonate

Method: X-RAY DIFFRACTION

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1. Protein Identity and Related Structures Protein Identity & Related Structures

Carbonic anhydrase 2

Haemophilus influenzae

State in the Current Structure

Assembly	Physical composition	Protein state	Molecular copy count	Associated components	Data consistency
1	Protein homooligomer	Homooligomer	Protein 4	ZINC ION × 4 SULFATE ION × 8 water × 4	Consistent with protein count
2	Protein homooligomer	Homooligomer	Protein 4	ZINC ION × 4 SULFATE ION × 8 BICARBONATE ION × 1 water × 4	Consistent with protein count

Other States of the Same Protein in the Database

View Construct and Data Evidence

UniProt name	CAN_HAEIN
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 1–229； UniProt 1–229 Author chain B； PDBConstruct 1–229； UniProt 1–229 Author chain C； PDBConstruct 1–229； UniProt 1–229 Author chain D； PDBConstruct 1–229； UniProt 1–229 Author chain E； PDBConstruct 1–229； UniProt 1–229 Author chain F； PDBConstruct 1–229； UniProt 1–229

The page prioritizes protein identity, the current assembly, associated components, oligomeric state and cross-PDB links. Chain mapping and sequence ranges are retained as data evidence. Internal IDs, import timestamps and assembly operation expressions are maintenance fields and are not shown here.

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2. Structure Basics 2. Structure Basics

Entry ID entry_id	3e2a
Deposition date deposition_date	2008-08-05
Structure title title	H. influenzae beta-carbonic anhydrase, variant Y181F with 100 mM bicarbonate
Keywords keywords	beta carbonic anhydrase, allosteric site mutant, Lyase, Metal-binding; LYASE
Experimental Method method	X-RAY DIFFRACTION

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3. Official assembly/model SAXS Official SAXS Profiles

This page reads only the latest assembly calculations. Every curve maps to an explicit PDB entry, official biological assembly and coordinate model.

3e2a__assembly_1__model_1

Assembly 1 · Model 1 · CRYSOL 4.1.3-1-20251215 (887e7ef)

Download this curve (.dat)

3e2a__assembly_1__model_1 | I(q)

100 plotted points; both axes use logarithmic scales.

3e2a__assembly_1__model_1 | P(r) · Pending

P(r) will be calculated and displayed separately for the same assembly/model.

Rg（Guinier）	27.92 Å
Rg (electron density)	26.85 Å
Total Rg	27.68 Å
Atom count	6716
Residues	832
Excluded volume	119360 Å³
Maximum q	0.500 Å⁻¹

Assembly	Model	Structure unit	Oligomeric description	Status	CRYSOL	Actions
1	1	`3e2a__assembly_1__model_1`	tetrameric （4）	Success	4.1.3-1-20251215 (887e7ef)	View Download
2	1	`3e2a__assembly_2__model_1`	tetrameric （4）	Success	4.1.3-1-20251215 (887e7ef)	View Download

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4. Crystallography and Experiment 4. Crystallography & Experiment

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5. Entities and Polymers Entities & Polymers (5)

Entity 1 Entity 1 polymer

Description description	Carbonic anhydrase 2
Molecular weight formula_weight	26271.0 kDa
EC 编号 ec_number	4.2.1.1
Mutation mutation	Y181F
Source method src_method	man
Copy count entity_count	6

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	A,B,C,D,E,F
Atom count atom_count	10134

MDKIKQLFANNYSWAQRMKEENSTYFKELADHQTPHYLWIGCSDSRVPAEKLTNLEPGELFVHRNVANQVIHTDFNCLSVVQYAVDVLKIEHIIICGHTNCGGIHAAMADKDLGLINNWLLHIRDIWFKHGHLLGKLSPEKRADMLTKINVAEQVYNLGRTSIVKSAWERGQKLSLHGWVFDVNDGFLVDQGVMATSRETLEISYRNAIARLSILDEENILKKDHLENT

Source Source

Source organism organism	Haemophilus influenzae
NCBI taxonomy ID ncbi_taxonomy_id	727
Host organism host_organism	Escherichia coli

Entity 2 Entity 2 non-polymer

Description description	ZINC ION
Molecular weight formula_weight	65.4 kDa
Source method src_method	syn
Copy count entity_count	6

Entity 3 Entity 3 non-polymer

Description description	SULFATE ION
Molecular weight formula_weight	96.1 kDa
Source method src_method	syn
Copy count entity_count	12

Entity 4 Entity 4 non-polymer

Description description	BICARBONATE ION
Molecular weight formula_weight	61.0 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 5 Entity 5 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	158

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6. Fold Classification (SCOP + CATH) 12 domains

SCOP 2.08 (6 domains)

Domain ID domain_id	d3e2aa_
Class class	c — Alpha and beta proteins (a/b)
Fold Fold fold	c.53 — Resolvase-like
Superfamily Superfamily superfamily	c.53.2 — beta-carbonic anhydrase, cab
Family Family family	c.53.2.1 — beta-carbonic anhydrase, cab

Domain ID domain_id	d3e2ab_
Class class	c — Alpha and beta proteins (a/b)
Fold Fold fold	c.53 — Resolvase-like
Superfamily Superfamily superfamily	c.53.2 — beta-carbonic anhydrase, cab
Family Family family	c.53.2.1 — beta-carbonic anhydrase, cab

Domain ID domain_id	d3e2ac_
Class class	c — Alpha and beta proteins (a/b)
Fold Fold fold	c.53 — Resolvase-like
Superfamily Superfamily superfamily	c.53.2 — beta-carbonic anhydrase, cab
Family Family family	c.53.2.1 — beta-carbonic anhydrase, cab

Domain ID domain_id	d3e2ad_
Class class	c — Alpha and beta proteins (a/b)
Fold Fold fold	c.53 — Resolvase-like
Superfamily Superfamily superfamily	c.53.2 — beta-carbonic anhydrase, cab
Family Family family	c.53.2.1 — beta-carbonic anhydrase, cab

Domain ID domain_id	d3e2ae_
Class class	c — Alpha and beta proteins (a/b)
Fold Fold fold	c.53 — Resolvase-like
Superfamily Superfamily superfamily	c.53.2 — beta-carbonic anhydrase, cab
Family Family family	c.53.2.1 — beta-carbonic anhydrase, cab

Domain ID domain_id	d3e2af_
Class class	c — Alpha and beta proteins (a/b)
Fold Fold fold	c.53 — Resolvase-like
Superfamily Superfamily superfamily	c.53.2 — beta-carbonic anhydrase, cab
Family Family family	c.53.2.1 — beta-carbonic anhydrase, cab

CATH v4.4 (6 domains)

Domain ID domain_id	3e2aA00
Class class	3 — Alpha Beta
Architecture architecture	40 — 3-Layer(aba) Sandwich
Topology topology	1050 — Beta-carbonic Anhydrase; Chain A
Homologous superfamily homologous superfamily	10 — Carbonic anhydrase

Domain ID domain_id	3e2aB00
Class class	3 — Alpha Beta
Architecture architecture	40 — 3-Layer(aba) Sandwich
Topology topology	1050 — Beta-carbonic Anhydrase; Chain A
Homologous superfamily homologous superfamily	10 — Carbonic anhydrase

Domain ID domain_id	3e2aC00
Class class	3 — Alpha Beta
Architecture architecture	40 — 3-Layer(aba) Sandwich
Topology topology	1050 — Beta-carbonic Anhydrase; Chain A
Homologous superfamily homologous superfamily	10 — Carbonic anhydrase

Domain ID domain_id	3e2aD00
Class class	3 — Alpha Beta
Architecture architecture	40 — 3-Layer(aba) Sandwich
Topology topology	1050 — Beta-carbonic Anhydrase; Chain A
Homologous superfamily homologous superfamily	10 — Carbonic anhydrase

Domain ID domain_id	3e2aE00
Class class	3 — Alpha Beta
Architecture architecture	40 — 3-Layer(aba) Sandwich
Topology topology	1050 — Beta-carbonic Anhydrase; Chain A
Homologous superfamily homologous superfamily	10 — Carbonic anhydrase

Domain ID domain_id	3e2aF00
Class class	3 — Alpha Beta
Architecture architecture	40 — 3-Layer(aba) Sandwich
Topology topology	1050 — Beta-carbonic Anhydrase; Chain A
Homologous superfamily homologous superfamily	10 — Carbonic anhydrase

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Unit-cell length a length_a	230.606 Å
Unit-cell length b length_b	145.512 Å
Unit-cell length c length_c	53.234 Å
Unit-cell angle α angle_alpha	90.00 °
Unit-cell angle β angle_beta	93.78 °
Unit-cell angle γ angle_gamma	90.00 °
Molecules per unit cell Z z_pdb	24

Space group space_group	C 1 2 1
Space-group number int_tables_number	5
Crystal system crystal_system	—

Resolution resolution	2.301 Å
Low-resolution limit resolution_low	24.780 Å
R factor r_factor	0.2050
R_work r_work	0.2010
R_free r_free	0.2440

H. influenzae beta-carbonic anhydrase, variant Y181F with 100 mM bicarbonate

1. Protein Identity and Related Structures Protein Identity & Related Structures

Carbonic anhydrase 2

State in the Current Structure

Other States of the Same Protein in the Database

2. Structure Basics 2. Structure Basics

3. Official assembly/model SAXS Official SAXS Profiles

3e2a__assembly_1__model_1

3e2a__assembly_1__model_1 | I(q)

3e2a__assembly_1__model_1 | P(r) · Pending

4. Crystallography and Experiment 4. Crystallography & Experiment

Unit cell Unit Cell

Symmetry Symmetry

Refinement Refinement

Diffraction experiment Diffraction

5. Entities and Polymers Entities & Polymers (5)

Entity 1 Entity 1 polymer

Polymer Polymer

Source Source

Entity 2 Entity 2 non-polymer

Entity 3 Entity 3 non-polymer

Entity 4 Entity 4 non-polymer

Entity 5 Entity 5 water

6. Fold Classification (SCOP + CATH) 12 domains

SCOP 2.08 (6 domains)

CATH v4.4 (6 domains)

7. Citations (1)

H. influenzae beta-carbonic anhydrase, variant Y181F with 100 mM bicarbonate

1. Protein Identity and Related Structures Protein Identity & Related Structures

Carbonic anhydrase 2

State in the Current Structure

Other States of the Same Protein in the Database

Monomer

Homodimer

Homotetramer

Other homooligomers

Heteromeric or nucleic-acid complex

2. Structure Basics 2. Structure Basics

3. Official assembly/model SAXS Official SAXS Profiles

3e2a__assembly_1__model_1

3e2a__assembly_1__model_1 | I(q)

3e2a__assembly_1__model_1 | P(r) · Pending

4. Crystallography and Experiment 4. Crystallography & Experiment

Unit cell Unit Cell

Symmetry Symmetry

Refinement Refinement

Diffraction experiment Diffraction

5. Entities and Polymers Entities & Polymers (5)

Entity 1 Entity 1 polymer

Polymer Polymer

Source Source

Entity 2 Entity 2 non-polymer

Entity 3 Entity 3 non-polymer

Entity 4 Entity 4 non-polymer

Entity 5 Entity 5 water

6. Fold Classification (SCOP + CATH) 12 domains

SCOP 2.08 (6 domains)

CATH v4.4 (6 domains)

7. Citations (1)