9wtk

Crystal structure of monoalkyl phthalate hydrolase in complex with MBP from Rhodococcus sp. EG-5

Method: X-RAY DIFFRACTION

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

Mono-ethylhexylphthalate hydrolase

Rhodococcus sp. EG-5

State in the Current Structure

Assembly	Physical composition	Protein state	Molecular copy count	Associated components	Data consistency
1	Protein monomer	Monomer	Protein 1	DI(HYDROXYETHYL)ETHER × 6 1,2-ETHANEDIOL × 4 PHTHALIC ACID × 1 1-BUTANOL × 1	Consistent with protein count
10	Protein monomer	Monomer	Protein 1	DI(HYDROXYETHYL)ETHER × 5 1,2-ETHANEDIOL × 5 PHTHALIC ACID × 1 MALONATE ION × 1	Consistent with protein count
2	Protein monomer	Monomer	Protein 1	DI(HYDROXYETHYL)ETHER × 2 1,2-ETHANEDIOL × 13 PHTHALIC ACID × 1 1-BUTANOL × 1 water × 1	Consistent with protein count
3	Protein monomer	Monomer	Protein 1	DI(HYDROXYETHYL)ETHER × 3 1,2-ETHANEDIOL × 5 PHTHALIC ACID × 1	Consistent with protein count
4	Protein monomer	Monomer	Protein 1	DI(HYDROXYETHYL)ETHER × 7 1,2-ETHANEDIOL × 6 PHTHALIC ACID × 1 1-BUTANOL × 1	Consistent with protein count
5	Protein monomer	Monomer	Protein 1	DI(HYDROXYETHYL)ETHER × 7 1,2-ETHANEDIOL × 4 PHTHALIC ACID × 1	Consistent with protein count
6	Protein monomer	Monomer	Protein 1	DI(HYDROXYETHYL)ETHER × 5 1,2-ETHANEDIOL × 7 PHTHALIC ACID × 1 MALONATE ION × 1 water × 1	Consistent with protein count
7	Protein monomer	Monomer	Protein 1	DI(HYDROXYETHYL)ETHER × 4 1,2-ETHANEDIOL × 8 PHTHALIC ACID × 1 water × 1	Consistent with protein count
8	Protein monomer	Monomer	Protein 1	DI(HYDROXYETHYL)ETHER × 1 1,2-ETHANEDIOL × 5 PHTHALIC ACID × 1 water × 1	Consistent with protein count
9	Protein monomer	Monomer	Protein 1	DI(HYDROXYETHYL)ETHER × 4 1,2-ETHANEDIOL × 4 PHTHALIC ACID × 1	Consistent with protein count

Other States of the Same Protein in the Database

View Construct and Data Evidence

UniProt name	A0A0U5ADH4_9NOCA
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 1–303； UniProt 1–303 Author chain B； PDBConstruct 1–303； UniProt 1–303 Author chain C； PDBConstruct 1–303； UniProt 1–303 Author chain D； PDBConstruct 1–303； UniProt 1–303 Author chain E； PDBConstruct 1–303； UniProt 1–303 Author chain F； PDBConstruct 1–303； UniProt 1–303 Author chain G； PDBConstruct 1–303； UniProt 1–303 Author chain H； PDBConstruct 1–303； UniProt 1–303 Author chain I； PDBConstruct 1–303； UniProt 1–303 Author chain J； PDBConstruct 1–303； UniProt 1–303

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	9wtk
Deposition date deposition_date	2025-09-16
Last revision last_revision	2026-05-27
Structure title title	Crystal structure of monoalkyl phthalate hydrolase in complex with MBP from Rhodococcus sp. EG-5
Keywords keywords	Mono-butyl phthalate, 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.

9wtk__assembly_1__model_1

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

Download this curve (.dat)

9wtk__assembly_1__model_1 | I(q)

100 plotted points; both axes use logarithmic scales.

9wtk__assembly_1__model_1 | P(r) · Pending

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

Rg（Guinier）	19.34 Å
Rg (electron density)	18.01 Å
Total Rg	19.10 Å
Atom count	2299
Residues	291
Excluded volume	41043 Å³
Maximum q	0.500 Å⁻¹

Assembly	Model	Structure unit	Oligomeric description	Status	CRYSOL	Actions
1	1	`9wtk__assembly_1__model_1`	monomeric （1）	Success	4.1.3-1-20251215 (887e7ef)	View Download
2	1	`9wtk__assembly_2__model_1`	monomeric （1）	Success	4.1.3-1-20251215 (887e7ef)	View Download
3	1	`9wtk__assembly_3__model_1`	monomeric （1）	Success	4.1.3-1-20251215 (887e7ef)	View Download
4	1	`9wtk__assembly_4__model_1`	monomeric （1）	Success	4.1.3-1-20251215 (887e7ef)	View Download
5	1	`9wtk__assembly_5__model_1`	monomeric （1）	Success	4.1.3-1-20251215 (887e7ef)	View Download
6	1	`9wtk__assembly_6__model_1`	monomeric （1）	Success	4.1.3-1-20251215 (887e7ef)	View Download
7	1	`9wtk__assembly_7__model_1`	monomeric （1）	Success	4.1.3-1-20251215 (887e7ef)	View Download
8	1	`9wtk__assembly_8__model_1`	monomeric （1）	Success	4.1.3-1-20251215 (887e7ef)	View Download
9	1	`9wtk__assembly_9__model_1`	monomeric （1）	Success	4.1.3-1-20251215 (887e7ef)	View Download
10	1	`9wtk__assembly_10__model_1`	monomeric （1）	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 (7)

Entity 1 Entity 1 polymer

Description description	Mono-ethylhexylphthalate hydrolase
Molecular weight formula_weight	33066.5 kDa
Source method src_method	man
Copy count entity_count	10

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	A,B,C,D,E,F,G,H,I,J
Atom count atom_count	22926

MNTDLSVNYISVGGIRTRYIDQGEGPVILLIHGGHSGMSMPVGGDGWAPVIAPLVDKGFRVVTFDKLGQGETDLAPTHAEWTFDAVVKHARGFIDALGLEDMILVGHSRGGLLASKLALDMPESTKGLFIVSSATLAGTDAKFRDVEFYDAITRSLPADASPEEICGAYFRALYVTPVPQEQINAAAAKYVKENHQNALKTYPMVEKKYWEPSLQAAKDDIRARLFAGEVNIPVEVVWGRDDRSAPVDLGIAFYQKLALVSETTSLHILGTAGHNVFAERTEDFVRILADYAGRRSASYATRR

Source Source

Source organism organism	Rhodococcus sp. EG-5
NCBI taxonomy ID ncbi_taxonomy_id	1747801
Host organism host_organism	Escherichia coli BL21(DE3)

Entity 2 Entity 2 non-polymer

Description description	DI(HYDROXYETHYL)ETHER
Molecular weight formula_weight	106.1 kDa
Source method src_method	syn
Copy count entity_count	44

Entity 3 Entity 3 non-polymer

Description description	1,2-ETHANEDIOL
Molecular weight formula_weight	62.1 kDa
Source method src_method	syn
Copy count entity_count	61

Entity 4 Entity 4 non-polymer

Description description	PHTHALIC ACID
Molecular weight formula_weight	166.1 kDa
Source method src_method	syn
Copy count entity_count	10

Entity 5 Entity 5 non-polymer

Description description	1-BUTANOL
Molecular weight formula_weight	74.1 kDa
Source method src_method	syn
Copy count entity_count	3

Entity 6 Entity 6 non-polymer

Description description	MALONATE ION
Molecular weight formula_weight	102.0 kDa
Source method src_method	syn
Copy count entity_count	2

Entity 7 Entity 7 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	4

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Unit-cell length a length_a	176.313 Å
Unit-cell length b length_b	244.890 Å
Unit-cell length c length_c	192.097 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	80

Space group space_group	C 2 2 2
Space-group number int_tables_number	21
Crystal system crystal_system	orthorhombic

Resolution resolution	2.800 Å
Low-resolution limit resolution_low	24.290 Å
R factor r_factor	0.2584
R_work r_work	0.2569
R_free r_free	0.2864

Crystal structure of monoalkyl phthalate hydrolase in complex with MBP from Rhodococcus sp. EG-5

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

Mono-ethylhexylphthalate hydrolase

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

9wtk__assembly_1__model_1

9wtk__assembly_1__model_1 | I(q)

9wtk__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 (7)

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 non-polymer

Entity 6 Entity 6 non-polymer

Entity 7 Entity 7 water

7. Citations (1)

Crystal structure of monoalkyl phthalate hydrolase in complex with MBP from Rhodococcus sp. EG-5

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

Mono-ethylhexylphthalate hydrolase

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

9wtk__assembly_1__model_1

9wtk__assembly_1__model_1 | I(q)

9wtk__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 (7)

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 non-polymer

Entity 6 Entity 6 non-polymer

Entity 7 Entity 7 water

7. Citations (1)