Crystal structure of alanine racemase from Bartonella henselae with covalently bound pyridoxal phosphate

Seattle Structural Genomics Center for Infectious Disease (SSGCID)

(2S)-2-amino-6-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]hexanoic acid

SAD phasing using iodide ions in a high-throughput structural genomics environment.

GPGSMNKSAKDTANPLFPATAIATIDVRAIVANYRTLAQHVAPTECSAVV(LLP)ANAYGLGAHKIAPALYQAGCRTFFV
AQIEEALQLKAVLPENVMIALLNGFPHKAEEFVAQSGIIPLLNSWSTIEDWQTLCQKKNKKFPAIIQVDTNMSRLGLDKK
ELQKLIKNPTIFEKAEIKYILSHLANGEDASHSSNNKQLAAFKRVLAQLPTCKVSFANSGGIFLGSDFYFDLVRPGIALY
GVDPHGKHPTPLKAVVKVEAQVLQSRFIDAGIPVGYRESFMTRRPSTLATISIGYADGWPRILSNKGTVYFNGHKLPIVG
HISMDSIIVDATDLDKKPQRGDWVELIGPHQPLEKVSTDTNTIPHEILTSLGKRYKRIYI

GPGSMNKSAKDTANPLFPATAIATIDVRAIVANYRTLAQHVAPTECSAVVKANAYGLGAHKIAPALYQAGCRTFFVAQIE
EALQLKAVLPENVMIALLNGFPHKAEEFVAQSGIIPLLNSWSTIEDWQTLCQKKNKKFPAIIQVDTNMSRLGLDKKELQK
LIKNPTIFEKAEIKYILSHLANGEDASHSSNNKQLAAFKRVLAQLPTCKVSFANSGGIFLGSDFYFDLVRPGIALYGVDP
HGKHPTPLKAVVKVEAQVLQSRFIDAGIPVGYRESFMTRRPSTLATISIGYADGWPRILSNKGTVYFNGHKLPIVGHISM
DSIIVDATDLDKKPQRGDWVELIGPHQPLEKVSTDTNTIPHEILTSLGKRYKRIYI

Native crystal grown in 0.1 M Hepes pH 8.0, 33% PEG 3350 at 42.3 mg/mL, crystal tracking ID 203636d11; crystal used for combined Phaser MR/IodoSAD grown in 0.1 M Hepes pH 8.5, 0.2 M MgCl2, 25% PEG 3350 and soaked for 1 hour in 0.1 M Hepes pH 8.0, 1.0 M KI, 35% PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 289K

Seattle Structural Genomics Center for Infectious Disease

HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS; U VALUES: RESIDUAL ONLY

NIAID, SSGCID, Seattle Structural Genomics Center for Infectious Disease, iodide soak, alanine racemase, LLP, cat-scratch disease, ISOMERASE

MNKSAKDTANPLFPATAIATIDVRAIVANYRTLAQHVAPTECSAVVKANAYGLGAHKIAPALYQAGCRTFFVAQIEEALQ
LKAVLPENVMIALLNGFPHKAEEFVAQSGIIPLLNSWSTIEDWQTLCQKKNKKFPAIIQVDTNMSRLGLDKKELQKLIKN
PTIFEKAEIKYILSHLANGEDASHSSNNKQLAAFKRVLAQLPTCKVSFANSGGIFLGSDFYFDLVRPGIALYGVDPHGKH
PTPLKAVVKVEAQVLQSRFIDAGIPVGYRESFMTRRPSTLATISIGYADGWPRILSNKGTVYFNGHKLPIVGHISMDSII
VDATDLDKKPQRGDWVELIGPHQPLEKVSTDTNTIPHEILTSLGKRYKRIYI