eF-site ID 6g59-B
PDB Code 6g59
Chain B

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Title Structure of the alanine racemase from Staphylococcus aureus in complex with an pyridoxal-6- phosphate derivative
Classification BIOSYNTHETIC PROTEIN
Compound Alanine racemase 1
Source (ALR1_STAAM)
Sequence B:  AGFSDKYYRSAYMNVDLNAVASNFKVFSTLHPNKTVMAVV
KANAYGLGSVKVARHLMENGATFFAVATLDEAIELRMHGI
TAKILVLGVLPAKDIDKAIQHRVALTVPSKQWLKEAIKNI
SGEQEKKLWLHIKLDTGMGRLGIKDTNTYQEVIEIIQQYE
QLVFEGVFTHFACADEPGDMTTEQYQRFKDMVNEAIKPEY
IHCQNSAGSLLMDCQFCNAIRPGISLYGYYPSEYVQQKVK
VHLKPSVQLIANVVQTKTLQAGESVSYGATYTATDPTTIA
LLPIGYADGYLRIMQGSFVNVNGHQCEVIGRVCMDQTIVK
VPDQVKAGDSVILIDNHRESPQSVEVVAEKQHTINYEVLC
NLSRRLPRIYHDGDQRFVTNELLK
Description (1)  Alanine racemase 1 (E.C.5.1.1.1)


Functional site

1) chain B
residue 135
type
ligand
sequence G
description binding site for residue NA A 408
source : AC8

2) chain B
residue 136
type
ligand
sequence M
description binding site for residue NA A 408
source : AC8

3) chain B
residue 170
type
ligand
sequence A
description binding site for residue NA A 408
source : AC8

4) chain B
residue 240
type
ligand
sequence H
description binding site for residue SO4 B 402
source : AD1

5) chain B
residue 243
type
ligand
sequence P
description binding site for residue SO4 B 402
source : AD1

6) chain B
residue 335
type
ligand
sequence H
description binding site for residue SO4 B 402
source : AD1

7) chain B
residue 336
type
ligand
sequence R
description binding site for residue SO4 B 402
source : AD1

8) chain B
residue 5
type
ligand
sequence Y
description binding site for residue SO4 B 403
source : AD2

9) chain B
residue 10
type
ligand
sequence Y
description binding site for residue SO4 B 403
source : AD2

10) chain B
residue 367
type
ligand
sequence I
description binding site for residue SO4 B 403
source : AD2

11) chain B
residue 374
type
ligand
sequence R
description binding site for residue SO4 B 403
source : AD2

12) chain B
residue 154
type
ligand
sequence I
description binding site for residue NA B 404
source : AD3

13) chain B
residue 157
type
ligand
sequence Y
description binding site for residue NA B 404
source : AD3

14) chain B
residue 160
type
ligand
sequence L
description binding site for residue NA B 404
source : AD3

15) chain B
residue 29
type
ligand
sequence H
description binding site for residue CL B 405
source : AD4

16) chain B
residue 31
type
ligand
sequence N
description binding site for residue CL B 405
source : AD4

17) chain B
residue 32
type
ligand
sequence K
description binding site for residue CL B 405
source : AD4

18) chain B
residue 37
type
ligand
sequence V
description binding site for Di-peptide EM2 B 401 and LYS B 39
source : AD5

19) chain B
residue 38
type
ligand
sequence V
description binding site for Di-peptide EM2 B 401 and LYS B 39
source : AD5

20) chain B
residue 40
type
ligand
sequence A
description binding site for Di-peptide EM2 B 401 and LYS B 39
source : AD5

21) chain B
residue 41
type
ligand
sequence N
description binding site for Di-peptide EM2 B 401 and LYS B 39
source : AD5

22) chain B
residue 42
type
ligand
sequence A
description binding site for Di-peptide EM2 B 401 and LYS B 39
source : AD5

23) chain B
residue 43
type
ligand
sequence Y
description binding site for Di-peptide EM2 B 401 and LYS B 39
source : AD5

24) chain B
residue 63
type
ligand
sequence A
description binding site for Di-peptide EM2 B 401 and LYS B 39
source : AD5

25) chain B
residue 65
type
ligand
sequence A
description binding site for Di-peptide EM2 B 401 and LYS B 39
source : AD5

26) chain B
residue 69
type
ligand
sequence E
description binding site for Di-peptide EM2 B 401 and LYS B 39
source : AD5

27) chain B
residue 168
type
ligand
sequence H
description binding site for Di-peptide EM2 B 401 and LYS B 39
source : AD5

28) chain B
residue 203
type
ligand
sequence N
description binding site for Di-peptide EM2 B 401 and LYS B 39
source : AD5

29) chain B
residue 204
type
ligand
sequence S
description binding site for Di-peptide EM2 B 401 and LYS B 39
source : AD5

30) chain B
residue 219
type
ligand
sequence R
description binding site for Di-peptide EM2 B 401 and LYS B 39
source : AD5

31) chain B
residue 221
type
ligand
sequence G
description binding site for Di-peptide EM2 B 401 and LYS B 39
source : AD5

32) chain B
residue 222
type
ligand
sequence I
description binding site for Di-peptide EM2 B 401 and LYS B 39
source : AD5

33) chain B
residue 354
type
ligand
sequence Y
description binding site for Di-peptide EM2 B 401 and LYS B 39
source : AD5

34) chain B
residue 265
type binding
ligand EM2: (6-ethynyl-4-methanoyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate
sequence Y
description (6-ethynyl-4-methanoyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate binding site
source pdb_hetatom : EM2_6g59_A_401

35) chain B
residue 313
type binding
ligand EM2: (6-ethynyl-4-methanoyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate
sequence D
description (6-ethynyl-4-methanoyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate binding site
source pdb_hetatom : EM2_6g59_A_401

36) chain B
residue 37
type binding
ligand EM2: (6-ethynyl-4-methanoyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate
sequence V
description (6-ethynyl-4-methanoyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate binding site
source pdb_hetatom : EM2_6g59_B_401

37) chain B
residue 39
type binding
ligand EM2: (6-ethynyl-4-methanoyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate
sequence K
description (6-ethynyl-4-methanoyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate binding site
source pdb_hetatom : EM2_6g59_B_401

38) chain B
residue 43
type binding
ligand EM2: (6-ethynyl-4-methanoyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate
sequence Y
description (6-ethynyl-4-methanoyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate binding site
source pdb_hetatom : EM2_6g59_B_401

39) chain B
residue 85
type binding
ligand EM2: (6-ethynyl-4-methanoyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate
sequence L
description (6-ethynyl-4-methanoyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate binding site
source pdb_hetatom : EM2_6g59_B_401

40) chain B
residue 131
type binding
ligand EM2: (6-ethynyl-4-methanoyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate
sequence K
description (6-ethynyl-4-methanoyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate binding site
source pdb_hetatom : EM2_6g59_B_401

41) chain B
residue 138
type binding
ligand EM2: (6-ethynyl-4-methanoyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate
sequence R
description (6-ethynyl-4-methanoyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate binding site
source pdb_hetatom : EM2_6g59_B_401

42) chain B
residue 166
type binding
ligand EM2: (6-ethynyl-4-methanoyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate
sequence F
description (6-ethynyl-4-methanoyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate binding site
source pdb_hetatom : EM2_6g59_B_401

43) chain B
residue 168
type binding
ligand EM2: (6-ethynyl-4-methanoyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate
sequence H
description (6-ethynyl-4-methanoyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate binding site
source pdb_hetatom : EM2_6g59_B_401

44) chain B
residue 203-205
type binding
ligand EM2: (6-ethynyl-4-methanoyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate
sequence NSA
description (6-ethynyl-4-methanoyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate binding site
source pdb_hetatom : EM2_6g59_B_401

45) chain B
residue 219-222
type binding
ligand EM2: (6-ethynyl-4-methanoyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate
sequence RPGI
description (6-ethynyl-4-methanoyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate binding site
source pdb_hetatom : EM2_6g59_B_401

46) chain B
residue 229
type binding
ligand EM2: (6-ethynyl-4-methanoyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate
sequence P
description (6-ethynyl-4-methanoyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate binding site
source pdb_hetatom : EM2_6g59_B_401

47) chain B
residue 354
type binding
ligand EM2: (6-ethynyl-4-methanoyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate
sequence Y
description (6-ethynyl-4-methanoyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate binding site
source pdb_hetatom : EM2_6g59_B_401


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