3D3L

The 2.6 A crystal structure of the lipoxygenase domain of human arachidonate 12-lipoxygenase, 12S-type

PDB DOI: https://doi.org/10.2210/pdb3D3L/pdb

Deposited: 2008-05-12 Released: 2008-09-09
Deposition Author(s): Tresaugues, L., Moche, M., Arrowsmith, C.H., Berglund, H., Busam, R.D., Collins, R., Dahlgren, L.G., Edwards, A.M., Flodin, S., Flores, A., Graslund, S., Hammarstrom, M., Herman, M.D., Johansson, A., Johansson, I., Kallas, A., Karlberg, T., Kotenyova, T., Lehtio, L., Nilsson, M.E., Nyman, T., Olesen, K., Persson, C., Sagemark, J., Schueler, H., Svensson, L., Thorsell, A.G., Van Den Berg, S., Welin, M., Weigelt, J., Wikstrom, M., Nordlund, P., Structural Genomics Consortium (SGC)

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 2.60 Å
R-Value Free: 0.276
R-Value Work: 0.206
R-Value Observed: 0.210

wwPDB Validation 3D Report Full Report

This is version 1.3 of the entry. See complete history.

Literature

Crystal structure of the lipoxygenase domain of human Arachidonate 12-lipoxygenase, 12S-type.

Tresaugues, L., Moche, M., Arrowsmith, C.H., Berglund, H., Busam, R.D., Collins, R., Dahlgren, L.G., Edwards, A.M., Flodin, S., Flores, A., Graslund, S., Hammarstrom, M., Herman, M.D., Johansson, A., Johansson, I., Kallas, A., Karlberg, T., Kotenyova, T., Lehtio, L., Nilsson, M.E., Nyman, T., Olesen, K., Persson, C., Sagemark, J., Schueler, H., Svensson, L., Thorsell, A.G., Van Den Berg, S., Welin, M., Weigelt, J., Wikstrom, M., Nordlund, P.

To be published.

Macromolecule Content

Total Structure Weight: 122.43 kDa
Atom Count: 7,268
Modelled Residue Count: 898
Deposited Residue Count: 1,082
Unique protein chains: 1

Macromolecules

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(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
Arachidonate 12-lipoxygenase, 12S-type	A, B	541	Homo sapiens	Mutation(s): 2 Gene Names: ALOX12, LOG12 EC: 1.13.11.31 Membrane Entity: Yes
UniProt & NIH Common Fund Data Resources
Find proteins for P18054 (Homo sapiens) Explore P18054 Go to UniProtKB: P18054
PHAROS: P18054 GTEx: ENSG00000108839
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	P18054
Sequence Annotations Expand
Reference Sequence

Small Molecules

Ligands 1 Unique
ID	Chains	Name / Formula / InChI Key	2D Diagram	3D Interactions
FE Query on FE Download Ideal Coordinates CCD File SDF format, chain C [auth A] SDF format, chain D [auth B] MOL2 format, chain C [auth A] MOL2 format, chain D [auth B]	C [auth A], D [auth B]	FE (III) ION Fe VTLYFUHAOXGGBS-UHFFFAOYSA-N		Interactions Focus chain C [auth A] Focus chain D [auth B] Interactions & Density Focus chain C [auth A] Focus chain D [auth B]

Experimental Data & Validation

Experimental Data

Method: X-RAY DIFFRACTION
Resolution: 2.60 Å
R-Value Free: 0.276
R-Value Work: 0.206
R-Value Observed: 0.210
Space Group: P 1

Unit Cell:

Length ( Å )	Angle ( ˚ )
a = 59.59	α = 65.37
b = 70.153	β = 88.01
c = 77.868	γ = 69.82

Software Package:

Software Name	Purpose
REFMAC	refinement
HKL-2000	data collection
XDS	data reduction
SCALA	data scaling
MOLREP	phasing

Structure Validation

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Entry History

Deposition Data

Released Date: 2008-09-09

Deposition Author(s):

Structural Genomics Consortium (SGC)

Revision History (Full details and data files)

Version 1.0: 2008-09-09
Type: Initial release
Version 1.1: 2011-07-13
Changes: Version format compliance
Version 1.2: 2021-10-20
Changes: Database references, Derived calculations, Structure summary
Version 1.3: 2023-08-30
Changes: Data collection, Refinement description

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3D3L

The 2.6 A crystal structure of the lipoxygenase domain of human arachidonate 12-lipoxygenase, 12S-type

Crystal structure of the lipoxygenase domain of human Arachidonate 12-lipoxygenase, 12S-type.

Entity ID: 1

UniProt & NIH Common Fund Data Resources

Entity Groups

Sequence Annotations

Expand

Experimental Data

Structure Validation

Deposition Data

Revision History (Full details and data files)