SAXSdb — 3mml

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

Allophanate hydrolase subunit 2

Mycobacterium smegmatis

State in the Current Structure

Assembly	Physical composition	Protein state	Molecular copy count	Associated components	Data consistency
1	Protein heterocomplex	Heteromer	Protein 4	Allophanate hydrolase subunit 1 × 2 （A0QPL1） CHLORIDE ION × 1 water × 4	Consistent with protein count
2	Protein heterocomplex	Heteromer	Protein 4	Allophanate hydrolase subunit 1 × 2 （A0QPL1） water × 4	Consistent with protein count
3	Protein heterocomplex	Heteromer	Protein 2	Allophanate hydrolase subunit 1 × 1 （A0QPL1） CHLORIDE ION × 1 water × 2	Consistent with protein count
4	Protein heterocomplex	Heteromer	Protein 2	Allophanate hydrolase subunit 1 × 1 （A0QPL1） water × 2	Consistent with protein count
5	Protein heterocomplex	Heteromer	Protein 2	Allophanate hydrolase subunit 1 × 1 （A0QPL1） water × 2	Consistent with protein count
6	Protein heterocomplex	Heteromer	Protein 2	Allophanate hydrolase subunit 1 × 1 （A0QPL1） water × 2	Consistent with protein count

Other States of the Same Protein in the Database

View Construct and Data Evidence

UniProt name	A0QPL0_MYCS2
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 1–294； UniProt 1–294 Author chain C； PDBConstruct 1–294； UniProt 1–294 Author chain E； PDBConstruct 1–294； UniProt 1–294 Author chain G； PDBConstruct 1–294； UniProt 1–294

Allophanate hydrolase subunit 1

Mycobacterium smegmatis

UniProt A0QPL1

State in the Current Structure

Assembly	Physical composition	Protein state	Molecular copy count	Associated components	Data consistency
1	Protein heterocomplex	Heteromer	Protein 4	Allophanate hydrolase subunit 2 × 2 （A0QPL0） CHLORIDE ION × 1 water × 4	Consistent with protein count
2	Protein heterocomplex	Heteromer	Protein 4	Allophanate hydrolase subunit 2 × 2 （A0QPL0） water × 4	Consistent with protein count
3	Protein heterocomplex	Heteromer	Protein 2	Allophanate hydrolase subunit 2 × 1 （A0QPL0） CHLORIDE ION × 1 water × 2	Consistent with protein count
4	Protein heterocomplex	Heteromer	Protein 2	Allophanate hydrolase subunit 2 × 1 （A0QPL0） water × 2	Consistent with protein count
5	Protein heterocomplex	Heteromer	Protein 2	Allophanate hydrolase subunit 2 × 1 （A0QPL0） water × 2	Consistent with protein count
6	Protein heterocomplex	Heteromer	Protein 2	Allophanate hydrolase subunit 2 × 1 （A0QPL0） water × 2	Consistent with protein count

Other States of the Same Protein in the Database

View Construct and Data Evidence

UniProt name	A0QPL1_MYCS2
Isoform	—
PDB entities	2
Chains and sequence ranges	Author chain B； PDBConstruct 20–228； UniProt 2–210 Author chain D； PDBConstruct 20–228； UniProt 2–210 Author chain F； PDBConstruct 20–228； UniProt 2–210 Author chain H； PDBConstruct 20–228； UniProt 2–210

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	3mml
Deposition date deposition_date	2010-04-20
Structure title title	Allophanate Hydrolase Complex from Mycobacterium smegmatis, Msmeg0435-Msmeg0436
Keywords keywords	;Structural Genomics, PSI-2, Protein Structure Initiative, Tuberculosis Structural Genomics Consortium, Integrated Center for Structure and Function Innovation, ISFI, TB Structural Genomics Consortium, TBSGC, HYDROLASE ;; HYDROLASE
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.

3mml__assembly_1__model_1

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

Download this curve (.dat)

3mml__assembly_1__model_1 | I(q)

100 plotted points; both axes use logarithmic scales.

3mml__assembly_1__model_1 | P(r) · Pending

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

Rg（Guinier）	34.72 Å
Rg (electron density)	34.26 Å
Total Rg	34.68 Å
Atom count	7515
Residues	984
Excluded volume	133030 Å³
Maximum q	0.500 Å⁻¹

Assembly	Model	Structure unit	Oligomeric description	Status	CRYSOL	Actions
1	1	`3mml__assembly_1__model_1`	tetrameric （4）	Success	4.1.3-1-20251215 (887e7ef)	View Download
2	1	`3mml__assembly_2__model_1`	tetrameric （4）	Success	4.1.3-1-20251215 (887e7ef)	View Download
3	1	`3mml__assembly_3__model_1`	dimeric （2）	Success	4.1.3-1-20251215 (887e7ef)	View Download
4	1	`3mml__assembly_4__model_1`	dimeric （2）	Success	4.1.3-1-20251215 (887e7ef)	View Download
5	1	`3mml__assembly_5__model_1`	dimeric （2）	Success	4.1.3-1-20251215 (887e7ef)	View Download
6	1	`3mml__assembly_6__model_1`	dimeric （2）	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 (4)

Entity 1 Entity 1 polymer

Description description	Allophanate hydrolase subunit 2
Molecular weight formula_weight	34100.3 kDa
EC 编号 ec_number	3.5.1.54
Source method src_method	man
Copy count entity_count	4

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	A,C,E,G
Atom count atom_count	15919

MGTTLEVLRTGPLALVEDLGRPGLAHMGVTRSGAADRRSHTLANRLVANPGESATIEVTFGGFSARVCGGDVAIAVTGADTDPAVNGIPFGTNSIHHVHDGQVISLGAPHSGLRSYLAVRGGIDVTPVLGSRSYDVMSAIGPSPLRPGDVLPVGEHTDEFPELDQAPVAAIAEDVVELQVVPGPRDDWFVDPDILVRTNWLVTNRSDRVGMRLVGMPLEYRNPDRQLPSEGATRGAIQVPPNGFPVILGPDHPVTGGYPVIGVVTEEDIDKLGQVRPGQTVRLHWAYPRRPFETLESGKETAAAKFERQHMDSSTSAA

Source Source

Source organism organism	Mycobacterium smegmatis
NCBI taxonomy ID ncbi_taxonomy_id	246196
Host organism host_organism	Escherichia coli

Entity 2 Entity 2 polymer

Description description	Allophanate hydrolase subunit 1
Molecular weight formula_weight	24903.5 kDa
Source method src_method	man
Copy count entity_count	4

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	B,D,F,H

MGSSHHHHHHENLYFQGGSTLGTVHNYGDQALLLEFDSTAEVLAWTETLREAELLGVVDIVPAARTVLVKLAGPRYQAPTRQRLGKLRVRPEAITHQPPGDRVDVTIDVVYDGADLHEVASLTGMTPAQVIAAHTGTPWRVGFCGFAPGFAYLVDGDARLQVPRRAEPRTSVPAGAVALAGEFSGVYPRQSPGGWQLIGHTDAVMFDVNRDKPALLTPGMWVQFRAVG

Source Source

Source organism organism	Mycobacterium smegmatis
NCBI taxonomy ID ncbi_taxonomy_id	246196
Host organism host_organism	Escherichia coli

Entity 3 Entity 3 non-polymer

Description description	CHLORIDE ION
Molecular weight formula_weight	35.5 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 4 Entity 4 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	885

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6. Fold Classification (SCOP + CATH) 12 domains

CATH v4.4 (12 domains)

Domain ID domain_id	3mmlA02
Class class	2 — Mainly Beta
Architecture architecture	40 — Beta Barrel
Topology topology	100 — Cyclophilin
Homologous superfamily homologous superfamily	10 — Cyclophilin-like

Domain ID domain_id	3mmlB01
Class class	3 — Alpha Beta
Architecture architecture	30 — 2-Layer Sandwich
Topology topology	1360 — Gyrase A; domain 2
Homologous superfamily homologous superfamily	40 —

Domain ID domain_id	3mmlB02
Class class	2 — Mainly Beta
Architecture architecture	40 — Beta Barrel
Topology topology	100 — Cyclophilin
Homologous superfamily homologous superfamily	10 — Cyclophilin-like

Domain ID domain_id	3mmlC02
Class class	2 — Mainly Beta
Architecture architecture	40 — Beta Barrel
Topology topology	100 — Cyclophilin
Homologous superfamily homologous superfamily	10 — Cyclophilin-like

Domain ID domain_id	3mmlD01
Class class	3 — Alpha Beta
Architecture architecture	30 — 2-Layer Sandwich
Topology topology	1360 — Gyrase A; domain 2
Homologous superfamily homologous superfamily	40 —

Domain ID domain_id	3mmlD02
Class class	2 — Mainly Beta
Architecture architecture	40 — Beta Barrel
Topology topology	100 — Cyclophilin
Homologous superfamily homologous superfamily	10 — Cyclophilin-like

Domain ID domain_id	3mmlE02
Class class	2 — Mainly Beta
Architecture architecture	40 — Beta Barrel
Topology topology	100 — Cyclophilin
Homologous superfamily homologous superfamily	10 — Cyclophilin-like

Domain ID domain_id	3mmlF01
Class class	3 — Alpha Beta
Architecture architecture	30 — 2-Layer Sandwich
Topology topology	1360 — Gyrase A; domain 2
Homologous superfamily homologous superfamily	40 —

Domain ID domain_id	3mmlF02
Class class	2 — Mainly Beta
Architecture architecture	40 — Beta Barrel
Topology topology	100 — Cyclophilin
Homologous superfamily homologous superfamily	10 — Cyclophilin-like

Domain ID domain_id	3mmlG02
Class class	2 — Mainly Beta
Architecture architecture	40 — Beta Barrel
Topology topology	100 — Cyclophilin
Homologous superfamily homologous superfamily	10 — Cyclophilin-like

Domain ID domain_id	3mmlH01
Class class	3 — Alpha Beta
Architecture architecture	30 — 2-Layer Sandwich
Topology topology	1360 — Gyrase A; domain 2
Homologous superfamily homologous superfamily	40 —

Domain ID domain_id	3mmlH02
Class class	2 — Mainly Beta
Architecture architecture	40 — Beta Barrel
Topology topology	100 — Cyclophilin
Homologous superfamily homologous superfamily	10 — Cyclophilin-like

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Unit-cell length a length_a	77.483 Å
Unit-cell length b length_b	84.239 Å
Unit-cell length c length_c	402.075 Å
Unit-cell angle α angle_alpha	90.00 °
Unit-cell angle β angle_beta	90.00 °
Unit-cell angle γ angle_gamma	90.00 °
Molecules per unit cell Z z_pdb	16

Space group space_group	P 21 21 21
Space-group number int_tables_number	19
Crystal system crystal_system	—

Resolution resolution	2.500 Å
Low-resolution limit resolution_low	19.920 Å
R factor r_factor	0.1700
R_work r_work	0.1690
R_free r_free	0.2020

Allophanate Hydrolase Complex from Mycobacterium smegmatis, Msmeg0435-Msmeg0436

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

Allophanate hydrolase subunit 2

State in the Current Structure

Other States of the Same Protein in the Database

Allophanate hydrolase subunit 1

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

3mml__assembly_1__model_1

3mml__assembly_1__model_1 | I(q)

3mml__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 (4)

Entity 1 Entity 1 polymer

Polymer Polymer

Source Source

Entity 2 Entity 2 polymer

Polymer Polymer

Source Source

Entity 3 Entity 3 non-polymer

Entity 4 Entity 4 water

6. Fold Classification (SCOP + CATH) 12 domains

CATH v4.4 (12 domains)

7. Citations (1)

Allophanate Hydrolase Complex from Mycobacterium smegmatis, Msmeg0435-Msmeg0436

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

Allophanate hydrolase subunit 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

Allophanate hydrolase subunit 1

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

3mml__assembly_1__model_1

3mml__assembly_1__model_1 | I(q)

3mml__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 (4)

Entity 1 Entity 1 polymer

Polymer Polymer

Source Source

Entity 2 Entity 2 polymer

Polymer Polymer

Source Source

Entity 3 Entity 3 non-polymer

Entity 4 Entity 4 water

6. Fold Classification (SCOP + CATH) 12 domains

CATH v4.4 (12 domains)

7. Citations (1)