eF-site ID 6e13-A
PDB Code 6e13
Chain A

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Title Pseudomonas putida PqqB with a non-physiological zinc at the active site binds the substrate mimic, 5-cysteinyl-3,4-dihydroxyphenylalanine (5-Cys-DOPA), non-specifically but supports the proposed function of the enzyme in pyrroloquinoline quinone biosynthesis.
Classification OXIDOREDUCTASE
Compound Coenzyme PQQ synthesis protein B
Source (PQQB_PSEPK)
Sequence A:  MMYIQVLGSAAAGGFPQWNCNCVNCKGYRDGTLKATARTQ
SSIALSDDGVHWILCNASPDIRAQLQAFAPMQPARALRDT
GINAIVLLDSQIDHTTGLLSLREGCPHQVWCTDMVHQDLT
TGFPLFNMLSHWNGGLQWNRIELEGSFVIDACPNLKFTPF
PLRSAAPPYSPHRFDPHPGDNLGLMVEDTRTGGKLFYAPG
LGQVDEKLLAMMHGADCLLVDGTLWEDDEMQRRGVGTRTG
REMGHLAQNGPGGTLEVLDGFPRQRKVLIHINNTNPILDE
NSPERAEVLRRGVEVAFDGMSIELLEHH
Description (1)  Coenzyme PQQ synthesis protein B


Functional site

1) chain A
residue 19
type
ligand
sequence C
description binding site for residue ZN A 401
source : AC1

2) chain A
residue 21
type
ligand
sequence C
description binding site for residue ZN A 401
source : AC1

3) chain A
residue 24
type
ligand
sequence C
description binding site for residue ZN A 401
source : AC1

4) chain A
residue 272
type
ligand
sequence N
description binding site for residue ZN A 401
source : AC1

5) chain A
residue 93
type
ligand
sequence H
description binding site for residue ZN A 402
source : AC2

6) chain A
residue 269
type
ligand
sequence H
description binding site for residue ZN A 402
source : AC2

7) chain A
residue 90
type
ligand
sequence Q
description binding site for residue CL A 403
source : AC3

8) chain A
residue 91
type
ligand
sequence I
description binding site for residue CL A 403
source : AC3

9) chain A
residue 166
type
ligand
sequence P
description binding site for residue CL A 403
source : AC3

10) chain A
residue 10
type
ligand
sequence A
description binding site for residue HKS A 404
source : AC4

11) chain A
residue 11
type
ligand
sequence A
description binding site for residue HKS A 404
source : AC4

12) chain A
residue 16
type
ligand
sequence Q
description binding site for residue HKS A 404
source : AC4

13) chain A
residue 77
type
ligand
sequence R
description binding site for residue HKS A 404
source : AC4

14) chain A
residue 90
type
ligand
sequence Q
description binding site for residue HKS A 404
source : AC4

15) chain A
residue 92
type
ligand
sequence D
description binding site for residue HKS A 404
source : AC4

16) chain A
residue 101
type
ligand
sequence R
description binding site for residue HKS A 404
source : AC4

17) chain A
residue 131
type
ligand
sequence W
description binding site for residue HKS A 404
source : AC4

18) chain A
residue 167
type
ligand
sequence P
description binding site for residue HKS A 404
source : AC4

19) chain A
residue 229
type
ligand
sequence M
description binding site for residue HKS A 404
source : AC4

20) chain A
residue 269
type
ligand
sequence H
description binding site for residue HKS A 404
source : AC4

21) chain A
residue 271
type
ligand
sequence N
description binding site for residue HKS A 404
source : AC4

22) chain A
residue 272
type
ligand
sequence N
description binding site for residue HKS A 404
source : AC4

23) chain A
residue 10-12
type binding
ligand HKS: 3-{[(2S)-2-amino-2-carboxyethyl]sulfanyl}-5-hydroxy-L-tyrosine
sequence AAG
description 3-{[(2S)-2-amino-2-carboxyethyl]sulfanyl}-5-hydroxy-L-tyrosine binding site
source pdb_hetatom : HKS_6e13_A_404

24) chain A
residue 16
type binding
ligand HKS: 3-{[(2S)-2-amino-2-carboxyethyl]sulfanyl}-5-hydroxy-L-tyrosine
sequence Q
description 3-{[(2S)-2-amino-2-carboxyethyl]sulfanyl}-5-hydroxy-L-tyrosine binding site
source pdb_hetatom : HKS_6e13_A_404

25) chain A
residue 90
type binding
ligand HKS: 3-{[(2S)-2-amino-2-carboxyethyl]sulfanyl}-5-hydroxy-L-tyrosine
sequence Q
description 3-{[(2S)-2-amino-2-carboxyethyl]sulfanyl}-5-hydroxy-L-tyrosine binding site
source pdb_hetatom : HKS_6e13_A_404

26) chain A
residue 92
type binding
ligand HKS: 3-{[(2S)-2-amino-2-carboxyethyl]sulfanyl}-5-hydroxy-L-tyrosine
sequence D
description 3-{[(2S)-2-amino-2-carboxyethyl]sulfanyl}-5-hydroxy-L-tyrosine binding site
source pdb_hetatom : HKS_6e13_A_404

27) chain A
residue 166-167
type binding
ligand HKS: 3-{[(2S)-2-amino-2-carboxyethyl]sulfanyl}-5-hydroxy-L-tyrosine
sequence PP
description 3-{[(2S)-2-amino-2-carboxyethyl]sulfanyl}-5-hydroxy-L-tyrosine binding site
source pdb_hetatom : HKS_6e13_A_404

28) chain A
residue 229
type binding
ligand HKS: 3-{[(2S)-2-amino-2-carboxyethyl]sulfanyl}-5-hydroxy-L-tyrosine
sequence M
description 3-{[(2S)-2-amino-2-carboxyethyl]sulfanyl}-5-hydroxy-L-tyrosine binding site
source pdb_hetatom : HKS_6e13_A_404

29) chain A
residue 242
type binding
ligand HKS: 3-{[(2S)-2-amino-2-carboxyethyl]sulfanyl}-5-hydroxy-L-tyrosine
sequence M
description 3-{[(2S)-2-amino-2-carboxyethyl]sulfanyl}-5-hydroxy-L-tyrosine binding site
source pdb_hetatom : HKS_6e13_A_404

30) chain A
residue 244
type binding
ligand HKS: 3-{[(2S)-2-amino-2-carboxyethyl]sulfanyl}-5-hydroxy-L-tyrosine
sequence H
description 3-{[(2S)-2-amino-2-carboxyethyl]sulfanyl}-5-hydroxy-L-tyrosine binding site
source pdb_hetatom : HKS_6e13_A_404

31) chain A
residue 269
type binding
ligand HKS: 3-{[(2S)-2-amino-2-carboxyethyl]sulfanyl}-5-hydroxy-L-tyrosine
sequence H
description 3-{[(2S)-2-amino-2-carboxyethyl]sulfanyl}-5-hydroxy-L-tyrosine binding site
source pdb_hetatom : HKS_6e13_A_404

32) chain A
residue 271-273
type binding
ligand HKS: 3-{[(2S)-2-amino-2-carboxyethyl]sulfanyl}-5-hydroxy-L-tyrosine
sequence NNT
description 3-{[(2S)-2-amino-2-carboxyethyl]sulfanyl}-5-hydroxy-L-tyrosine binding site
source pdb_hetatom : HKS_6e13_A_404


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