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

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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 C:  AATVVINRRALRHNLQRLRELAPASKMVAVVKANAYGHGL
LETARTLPDADAFGVARLEEALRLRAGGITKPVLLLEGFF
DARDLPTISAQHFHTAVHNEEQLAALEEASLDEPVTVWMX
LDTGMHRLGVRPEQAEAFYHRLTQCKNVRQPVNIVSHFAR
ADEPKCGATEKQLAIFNTFCEGKPGQRSIAASGGILLWPQ
SHFDWVRPGIILYGVSPLEDRSTGADFGCQPVMSLTSSLI
AVREHKAGEPVGYGGTWVSERDTRLGVVAMGYGDGYPRAA
PSGTPVLVNGREVPIVGRVAMDMICVDLGPQAQDKAGDPV
ILWGEGLPVEMTKVSAYELITRLTSRVAMKYVD
Description (1)  Alanine racemase (E.C.5.1.1.1)


Functional site

1) chain C
residue 19
type
ligand
sequence R
description BINDING SITE FOR RESIDUE SO4 C 360
source : AC3

2) chain C
residue 34
type
ligand
sequence K
description BINDING SITE FOR RESIDUE DCS C 362
source : AC8

3) chain C
residue 38
type
ligand
sequence Y
description BINDING SITE FOR RESIDUE DCS C 362
source : AC8

4) chain C
residue 129
type
ligand
sequence R
description BINDING SITE FOR RESIDUE DCS C 362
source : AC8

5) chain C
residue 159
type
ligand
sequence H
description BINDING SITE FOR RESIDUE DCS C 362
source : AC8

6) chain C
residue 193
type
ligand
sequence A
description BINDING SITE FOR RESIDUE DCS C 362
source : AC8

7) chain C
residue 194
type
ligand
sequence S
description BINDING SITE FOR RESIDUE DCS C 362
source : AC8

8) chain C
residue 209
type
ligand
sequence R
description BINDING SITE FOR RESIDUE DCS C 362
source : AC8

9) chain C
residue 211
type
ligand
sequence G
description BINDING SITE FOR RESIDUE DCS C 362
source : AC8

10) chain C
residue 212
type
ligand
sequence I
description BINDING SITE FOR RESIDUE DCS C 362
source : AC8

11) chain C
residue 343
type
ligand
sequence Y
description BINDING SITE FOR RESIDUE DCS C 362
source : AC8

12) chain C
residue 255
type
ligand
sequence Y
description BINDING SITE FOR RESIDUE DCS D 360
source : AC9

13) chain C
residue 274
type
ligand
sequence Y
description BINDING SITE FOR RESIDUE DCS D 360
source : AC9

14) chain C
residue 303
type
ligand
sequence M
description BINDING SITE FOR RESIDUE DCS D 360
source : AC9

15) chain C
residue 275
type ACT_SITE
ligand
sequence G
description Proton acceptor; specific for L-alanine (By similarity).
source Swiss-Prot : SWS_FT_FI5

16) chain C
residue 54
type ACT_SITE
ligand
sequence A
description Proton acceptor; specific for D-alanine (By similarity).
source Swiss-Prot : SWS_FT_FI6

17) chain C
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

18) chain C
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_C_362

19) chain C
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_C_362

20) chain C
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_C_362

21) chain C
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_C_362

22) chain C
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_C_362

23) chain C
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_C_362

24) chain C
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_C_362

25) chain C
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_C_362

26) chain C
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_C_362

27) chain C
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_C_362

28) chain C
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_C_362

29) chain C
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_D_360

30) chain C
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_D_360

31) chain C
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_D_360

32) chain C
residue 34
type catalytic
ligand
sequence K
description Annotated By Reference To The Literature 1bd0
source CSA : CSA3

33) chain C
residue 129
type catalytic
ligand
sequence R
description Annotated By Reference To The Literature 1bd0
source CSA : CSA3


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