Biological Macromolecule Crystallization Database (version 7.0)

Title: X-ray structure of KdnA, 8-amino-3,8-dideoxy-alpha-D-manno-octulosonate transaminase, from Shewanella oneidensis in the presence of the external aldimine with PLP and glutamate
Description: 8-amino-3,8-dideoxy-alpha-D-manno-octulosonate transaminase (E.C.2.6.1.109)

Structure weight: 180786.435 Resolution: 2.150
Density Matthews: 2.240 Density % solution: 45.020 Z value: 16

Length	Angles
a = 266.628	alpha = 90.000
b = 61.675	beta = 102.030
c = 99.636	gamma = 90.000

Space group: C 1 2 1
Deposition Date: 2016-05-28

Temperature: 295.00
pH: 6
Crystallization method: VAPOR DIFFUSION, HANGING DROP
Details: 16-21% PEG-3350, 100 mM MES, 200 mM KCl, 150 mM MgCl2, 1 mM PLP, 50 mM monosodium glutamate

Polymer: 8-amino-3,8-dideoxy-alpha-D-manno-octulosonate transaminase
Weight: 44768.273 No. of molecules: 4
E.C. number: 2.6.1.109 Mutation:
Source method: man Scientific name: Shewanella oneidensis (strain mr-1) Common name:
Sequence type: polypeptide(L) Length: 408 Isoelectric Point: 5.87
Sequence:
MPGFELFGPEEKQEVADVMEHGFTFRYNFDHMRNDRWKTRDMEQLLCEKMNVKHAHLLSSGTAALQTAMMAAGIGAGDEV
IVPPFTFVASVEAIFMAGAVPIFAEIDETLCLSPEGIEAVITPRTKAINLVHMCGSMAKMDEIKAICKKHNLVLLEDAC
Q AIGGSYKGQALGTIGDVGCYSFDSVKTITCGEGGAVITNNTEIYDNAHMFSDHGHDHIGKDRGAESHPIMGLNFRISE
MN AALGLAQLRKLDTIIDIQRKNKKAIKDAMASIPEVSFREIPDPEGDSAGFLSFMLPTEARTQEISKKLAANGVDGCF
YWY VNNWHYLKNWKHIQELKAPAALPITLIADRPDYTQISVPKSDAIMSRTISMLIKLSWTDAQIAERIENIKKAFAQL
EHHH HHH

Ligand: N-({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)-D-GLUTAMIC ACID
Weight: 378.272 No. of molecules: 4
Source method: syn

Ligand: CHLORIDE ION
Weight: 35.453 No. of molecules: 5
Source method: syn

Ligand: SODIUM ION
Weight: 22.990 No. of molecules: 1
Source method: syn

Ligand: water
Weight: 18.015 No. of molecules: 710
Source method: nat

Journal: (2016) Biochemistry vol. 55: 4485-4494
Holden, H.M., Thoden, J.B., Zachman-Brockmeyer, T.R.

PubMed references:

• 27275764