eF-site ID 2rjh-A
PDB Code 2rjh
Chain A

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Title Crystal structure of biosynthetic alaine racemase in D-cycloserine-bound form from Escherichia coli
Classification ISOMERASE
Compound Alanine racemase
Source Escherichia coli (strain K12) (ALR1_ECOLI)
Sequence A:  MQAATVVINRRALRHNLQRLRELAPASKMVAVVKANAYGH
GLLETARTLPDADAFGVARLEEALRLRAGGITKPVLLLEG
FFDARDLPTISAQHFHTAVHNEEQLAALEEASLDEPVTVW
MXLDTGMHRLGVRPEQAEAFYHRLTQCKNVRQPVNIVSHF
ARADEPKCGATEKQLAIFNTFCEGKPGQRSIAASGGILLW
PQSHFDWVRPGIILYGVSPLEDRSTGADFGCQPVMSLTSS
LIAVREHKAGEPVGYGGTWVSERDTRLGVVAMGYGDGYPR
AAPSGTPVLVNGREVPIVGRVAMDMICVDLGPQAQDKAGD
PVILWGEGLPVERIAEMTKVSAYELITRLTSRVAMKYVD
Description (1)  Alanine racemase (E.C.5.1.1.1)


Functional site

1) chain A
residue 19
type
ligand
sequence R
description BINDING SITE FOR RESIDUE SO4 A 360
source : AC1

2) chain A
residue 266
type
ligand
sequence R
description BINDING SITE FOR RESIDUE SO4 B 360
source : AC2

3) chain A
residue 162
type
ligand
sequence R
description BINDING SITE FOR RESIDUE SO4 A 361
source : AC4

4) chain A
residue 168
type
ligand
sequence C
description BINDING SITE FOR RESIDUE SO4 A 361
source : AC4

5) chain A
residue 34
type
ligand
sequence K
description BINDING SITE FOR RESIDUE DCS A 362
source : AC6

6) chain A
residue 38
type
ligand
sequence Y
description BINDING SITE FOR RESIDUE DCS A 362
source : AC6

7) chain A
residue 129
type
ligand
sequence R
description BINDING SITE FOR RESIDUE DCS A 362
source : AC6

8) chain A
residue 159
type
ligand
sequence H
description BINDING SITE FOR RESIDUE DCS A 362
source : AC6

9) chain A
residue 193
type
ligand
sequence A
description BINDING SITE FOR RESIDUE DCS A 362
source : AC6

10) chain A
residue 194
type
ligand
sequence S
description BINDING SITE FOR RESIDUE DCS A 362
source : AC6

11) chain A
residue 209
type
ligand
sequence R
description BINDING SITE FOR RESIDUE DCS A 362
source : AC6

12) chain A
residue 211
type
ligand
sequence G
description BINDING SITE FOR RESIDUE DCS A 362
source : AC6

13) chain A
residue 212
type
ligand
sequence I
description BINDING SITE FOR RESIDUE DCS A 362
source : AC6

14) chain A
residue 343
type
ligand
sequence Y
description BINDING SITE FOR RESIDUE DCS A 362
source : AC6

15) chain A
residue 255
type
ligand
sequence Y
description BINDING SITE FOR RESIDUE DCS B 362
source : AC7

16) chain A
residue 274
type
ligand
sequence Y
description BINDING SITE FOR RESIDUE DCS B 362
source : AC7

17) chain A
residue 302
type
ligand
sequence A
description BINDING SITE FOR RESIDUE DCS B 362
source : AC7

18) chain A
residue 303
type
ligand
sequence M
description BINDING SITE FOR RESIDUE DCS B 362
source : AC7

19) chain A
residue 275
type ACT_SITE
ligand
sequence G
description Proton acceptor; specific for L-alanine (By similarity).
source Swiss-Prot : SWS_FT_FI1

20) chain A
residue 54
type ACT_SITE
ligand
sequence A
description Proton acceptor; specific for D-alanine (By similarity).
source Swiss-Prot : SWS_FT_FI2

21) chain A
residue 31-41
type prosite
ligand
sequence AVVKANAYGHG
description Alanine racemase pyridoxal-phosphate attachment site. [SACVLG]-[AIPTV]-x(0,1)-K-[ADGS]-[DEN]-[GA]-Y-G-[HACILN]-[GD]
source prosite : PS00395

22) chain A
residue 32
type binding
ligand DCS: D-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-N,O-CYCLOSERYLAMIDE
sequence V
description D-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-N,O-CYCLOSERYLAMIDE binding site
source pdb_hetatom : DCS_2rjh_A_362

23) chain A
residue 34
type binding
ligand DCS: D-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-N,O-CYCLOSERYLAMIDE
sequence K
description D-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-N,O-CYCLOSERYLAMIDE binding site
source pdb_hetatom : DCS_2rjh_A_362

24) chain A
residue 38
type binding
ligand DCS: D-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-N,O-CYCLOSERYLAMIDE
sequence Y
description D-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-N,O-CYCLOSERYLAMIDE binding site
source pdb_hetatom : DCS_2rjh_A_362

25) chain A
residue 78
type binding
ligand DCS: D-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-N,O-CYCLOSERYLAMIDE
sequence L
description D-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-N,O-CYCLOSERYLAMIDE binding site
source pdb_hetatom : DCS_2rjh_A_362

26) chain A
residue 122
type binding
ligand DCS: D-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-N,O-CYCLOSERYLAMIDE
sequence X
description D-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-N,O-CYCLOSERYLAMIDE binding site
source pdb_hetatom : DCS_2rjh_A_362

27) chain A
residue 129
type binding
ligand DCS: D-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-N,O-CYCLOSERYLAMIDE
sequence R
description D-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-N,O-CYCLOSERYLAMIDE binding site
source pdb_hetatom : DCS_2rjh_A_362

28) chain A
residue 159
type binding
ligand DCS: D-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-N,O-CYCLOSERYLAMIDE
sequence H
description D-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-N,O-CYCLOSERYLAMIDE binding site
source pdb_hetatom : DCS_2rjh_A_362

29) chain A
residue 193-195
type binding
ligand DCS: D-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-N,O-CYCLOSERYLAMIDE
sequence ASG
description D-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-N,O-CYCLOSERYLAMIDE binding site
source pdb_hetatom : DCS_2rjh_A_362

30) chain A
residue 209-213
type binding
ligand DCS: D-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-N,O-CYCLOSERYLAMIDE
sequence RPGII
description D-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-N,O-CYCLOSERYLAMIDE binding site
source pdb_hetatom : DCS_2rjh_A_362

31) chain A
residue 219
type binding
ligand DCS: D-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-N,O-CYCLOSERYLAMIDE
sequence P
description D-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-N,O-CYCLOSERYLAMIDE binding site
source pdb_hetatom : DCS_2rjh_A_362

32) chain A
residue 343
type binding
ligand DCS: D-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-N,O-CYCLOSERYLAMIDE
sequence Y
description D-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-N,O-CYCLOSERYLAMIDE binding site
source pdb_hetatom : DCS_2rjh_A_362

33) chain A
residue 255
type binding
ligand DCS: D-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-N,O-CYCLOSERYLAMIDE
sequence Y
description D-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-N,O-CYCLOSERYLAMIDE binding site
source pdb_hetatom : DCS_2rjh_B_362

34) chain A
residue 274
type binding
ligand DCS: D-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-N,O-CYCLOSERYLAMIDE
sequence Y
description D-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-N,O-CYCLOSERYLAMIDE binding site
source pdb_hetatom : DCS_2rjh_B_362

35) chain A
residue 302-305
type binding
ligand DCS: D-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-N,O-CYCLOSERYLAMIDE
sequence AMDM
description D-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-N,O-CYCLOSERYLAMIDE binding site
source pdb_hetatom : DCS_2rjh_B_362

36) chain A
residue 34
type catalytic
ligand
sequence K
description Annotated By Reference To The Literature 1bd0
source CSA : CSA1

37) chain A
residue 129
type catalytic
ligand
sequence R
description Annotated By Reference To The Literature 1bd0
source CSA : CSA1


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