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F263_HUMAN_1_449

6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (F263_HUMAN):R: 6-phosphofructo-2-kinase (44:51, 153, 155, 160, 163:165, 167:169, 187, 215, 218, 219, 222, 239, 240, 242:244)
R: Fructose-2,6-bisphosphatase (379, 424, 425)
44:51, 153, 155, 160, 163:165, 167:169, 187, 215, 218, 219, 222, 239, 240, 242:244, 379, 424, 425

Full PDB list

2axn, 2dwo, 2dwp, 2i1v, 3qpu, 3qpv, 3qpw, 4d4j, 4d4k, 4d4l, 4d4m, 4ma4, 5ajv, 5ajw, 5ajx, 5ajy, 5ajz, 5ak0 (redundant Pocketome entry)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
P
4
4
A
4
5
R
4
6
G
4
7
K
4
8
T
4
9
Y
5
0
I
5
1
S
1
5
3
C
1
5
5
V
1
6
0
S
1
6
3
N
1
6
4
I
1
6
5
E
1
6
7
V
1
6
8
K
1
6
9
F
1
8
7
V
2
1
5
V
2
1
8
G
2
1
9
F
2
2
2
L
2
3
9
M
2
4
0
I
2
4
2
H
2
4
3
V
2
4
4
A
4
2
4
Y
4
2
5
[1]2dwp.a acp,mg32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3qpu.a none . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3qpw.a adp27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4d4j.a bki23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4d4k.a bke24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4d4l.a bks23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4d4m.a bkv23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5ajv.b 8r226 . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5ajw.a s6l31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5ajx.a fd934 . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5ajy.a 87t27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5ajz.a mjp23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5ak0.a 8v131 . . . . . . . . . . . . . . . . . . . . . . . . . . . . .

Legend

B backbone contact  S side chain contact  F BB + SCh
.
 no contact C covalent bond
X mutation to X * complex cases - deletion
M contact with cofactors/metals (if any)

Site contact map

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PDB.ch
A1
P
4
4
A
4
5
R
4
6
G
4
7
K
4
8
T
4
9
Y
5
0
I
5
1
S
1
5
3
C
1
5
5
V
1
6
0
S
1
6
3
N
1
6
4
I
1
6
5
E
1
6
7
V
1
6
8
K
1
6
9
F
1
8
7
V
2
1
5
V
2
1
8
G
2
1
9
F
2
2
2
L
2
3
9
M
2
4
0
I
2
4
2
H
2
4
3
V
2
4
4
R
3
7
9
A
4
2
4
Y
4
2
5
[1]2dwp.a . . . . . . . . . . . . * . . . . . . . . . . . . . . . . .
[1]3qpu.a . . . . . . . . . . . . * . . . . . . . . . . . . . . . . .
[1]3qpw.a . . . . . . . . . . . . * . . . . . . . . . . . . . . . . .
[1]4d4j.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4d4k.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4d4l.a . . . . . . . . . . . . * . . . . . . . . . . . . . . . . .
[1]4d4m.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5ajv.b . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5ajw.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5ajx.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . * .
[1]5ajy.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5ajz.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5ak0.a . . . . . . . . . . . . . * . . . . . . . . . . . . . . . .

Legend

B backbone contact  S side chain contact  F BB + SCh
.
 no contact C covalent bond
X X X X X  clash
X mutation to X * complex cases - deletion
M contact with cofactors/metals (if any)

Pocket-ligand steric compatibility

Ligands (x) vs pockets (y) colored by number of steric clashes

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pocketligand
≥10
9
8
7
6
5
4
3
2
1
0
2dwp.a:acp,mg
3qpu.a is apo
3qpw.a:adp
4d4j.a:bki
4d4k.a:bke
4d4l.a:bks
4d4m.a:bkv
5ajv.b:8r2
5ajw.a:s6l
5ajx.a:fd9
5ajy.a:87t
5ajz.a:mjp
5ak0.a:8v1
[1] 2dwp.a
0.1
- 0.1 0.5 1.1 0.5 1.1 1.2 1.1 0.4 0.6 0.6 0.5
[1] 3qpu.a 0.9
-
0.4 0.8 0.7 0.8 1.3 1.3 1.4 1.3 0.7 0.8 0.6
[1] 3qpw.a 0.5 -
0.1
0.7 1.3 0.6 1.1 1.4 1.5 0.8 0.6 0.5 0.6
[1] 4d4j.a 0.9 - 0.7
0
0.4 0 0.2 0.3 0.1 0.3 0.1 0.2 0.3
[1] 4d4k.a 0.5 - 0.5 0
0
0 0.1 0.5 0.3 0.6 0.1 0.2 0.6
[1] 4d4l.a 1.2 - 1.1 0.1 0.5
0
0.4 0.3 0.1 0.3 0.1 0.3 0.3
[1] 4d4m.a 0.6 - 0.4 0 0.2 0
0.1
0.4 0.4 0.6 0.3 0.4 0.6
[1] 5ajv.b 0.4 - 0.4 0 0.3 0 0
0
0 0.1 0 0 0.3
[1] 5ajw.a 0.8 - 0.5 0.1 0.3 0.1 0.2 0.1
0
0 0 0 0.4
[1] 5ajx.a 0.2 - 0 0 0.8 0 0 0 0
0
0 0 0.2
[1] 5ajy.a 1.1 - 0.8 0.1 0.5 0 0.1 0.1 0 0.1
0
0 0.2
[1] 5ajz.a 1.1 - 0.6 0.2 0.4 0 0.4 0.1 0 0 0
0
0.3
[1] 5ak0.a 2.3 - 2.1 0.7 1.5 0.4 1.3 0.3 0.8 0.7 0.3 0.2
0
[Pocket-ligand steric clashes matrix]

Pocket clash dissimilarity (1 cluster)

Pockets (x) vs pockets (y) colored by ligand clash profile difference

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pocketpocket
≥1.
.9
.8
.7
.6
.5
.4
.3
.2
.1
.0
2dwp.a
3qpu.a
3qpw.a
4d4j.a
4d4k.a
4d4l.a
4d4m.a
5ajv.b
5ajw.a
5ajx.a
5ajy.a
5ajz.a
5ak0.a
[1] 2dwp.a
0
.06 .05 .07 .07 .07 .07 .08 .09 .11 .09 .09 .17
[1] 3qpu.a .06
0
.05 .06 .06 .06 .06 .08 .06 .11 .07 .07 .16
[1] 3qpw.a .05 .05
0
.06 .06 .06 .07 .08 .07 .12 .07 .08 .17
[1] 4d4j.a .07 .06 .06
0
.03 .01 .03 .05 .03 .08 .02 .03 .12
[1] 4d4k.a .07 .06 .06 .03
0
.03 .01 .04 .03 .07 .04 .04 .12
[1] 4d4l.a .07 .06 .06 .01 .03
0
.03 .06 .04 .09 .02 .03 .13
[1] 4d4m.a .07 .06 .07 .03 .01 .03
0
.03 .03 .06 .04 .04 .12
[1] 5ajv.b .08 .08 .08 .05 .04 .06 .03
0
.03 .04 .04 .04 .10
[1] 5ajw.a .09 .06 .07 .03 .03 .04 .03 .03
0
.06 .02 .02 .11
[1] 5ajx.a .11 .11 .12 .08 .07 .09 .06 .04 .06
0
.07 .07 .13
[1] 5ajy.a .09 .07 .07 .02 .04 .02 .04 .04 .02 .07
0
.01 .11
[1] 5ajz.a .09 .07 .08 .03 .04 .03 .04 .04 .02 .07 .01
0
.11
[1] 5ak0.a .17 .16 .17 .12 .12 .13 .12 .10 .11 .13 .11 .11
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 0.8 Å)

Pockets (x) vs pockets (y) colored by RMSD of site residue backbone atoms

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pocketpocket
≥10 Å
9 Å
8 Å
7 Å
6 Å
5 Å
4 Å
3 Å
2 Å
1 Å
0 Å
2dwp.a
3qpu.a
3qpw.a
4d4j.a
4d4k.a
4d4l.a
4d4m.a
5ajv.b
5ajw.a
5ajx.a
5ajy.a
5ajz.a
5ak0.a
[1] 2dwp.a
0
0.6 0.4 0.4 0.5 0.4 0.4 0.6 0.6 0.6 0.4 0.4 1.5
[1] 3qpu.a 0.6
0
0.4 0.5 0.6 0.5 0.6 0.7 0.7 0.8 0.6 0.6 1.5
[1] 3qpw.a 0.4 0.4
0
0.4 0.5 0.5 0.5 0.7 0.6 0.7 0.5 0.5 1.6
[1] 4d4j.a 0.4 0.5 0.4
0
0.2 0.1 0.2 0.5 0.5 0.5 0.2 0.2 1.5
[1] 4d4k.a 0.5 0.6 0.5 0.2
0
0.3 0.2 0.6 0.6 0.6 0.3 0.4 1.6
[1] 4d4l.a 0.4 0.5 0.5 0.1 0.3
0
0.1 0.5 0.5 0.5 0.2 0.2 1.5
[1] 4d4m.a 0.4 0.6 0.5 0.2 0.2 0.1
0
0.5 0.5 0.5 0.3 0.3 1.5
[1] 5ajv.b 0.6 0.7 0.7 0.5 0.6 0.5 0.5
0
0.6 0.4 0.4 0.4 1.5
[1] 5ajw.a 0.6 0.7 0.6 0.5 0.6 0.5 0.5 0.6
0
0.5 0.4 0.5 1.6
[1] 5ajx.a 0.6 0.8 0.7 0.5 0.6 0.5 0.5 0.4 0.5
0
0.4 0.5 1.5
[1] 5ajy.a 0.4 0.6 0.5 0.2 0.3 0.2 0.3 0.4 0.4 0.4
0
0.2 1.5
[1] 5ajz.a 0.4 0.6 0.5 0.2 0.4 0.2 0.3 0.4 0.5 0.5 0.2
0
1.4
[1] 5ak0.a 1.5 1.5 1.6 1.5 1.6 1.5 1.5 1.5 1.6 1.5 1.5 1.4
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 0.5 Å)

Pockets (x) vs pockets (y) colored by RMSD of all site residue atoms

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pocketpocket
≥10 Å
9 Å
8 Å
7 Å
6 Å
5 Å
4 Å
3 Å
2 Å
1 Å
0 Å
2dwp.a
3qpu.a
3qpw.a
4d4j.a
4d4k.a
4d4l.a
4d4m.a
5ajv.b
5ajw.a
5ajx.a
5ajy.a
5ajz.a
5ak0.a
[1] 2dwp.a
0
0.8 0.7 0.9 0.9 0.9 0.8 0.9 0.9 0.9 0.8 0.8 2.3
[1] 3qpu.a 0.8
0
0.7 0.9 0.9 0.9 0.9 1.0 0.9 1.1 0.8 0.9 2.3
[1] 3qpw.a 0.7 0.7
0
0.9 1.0 0.9 0.8 0.9 0.9 1.1 0.9 0.8 2.3
[1] 4d4j.a 0.9 0.9 0.9
0
0.6 0.3 0.6 0.8 0.7 0.6 0.5 0.6 2.3
[1] 4d4k.a 0.9 0.9 1.0 0.6
0
0.6 0.5 0.8 0.7 0.9 0.5 0.6 2.4
[1] 4d4l.a 0.9 0.9 0.9 0.3 0.6
0
0.5 0.8 0.7 0.7 0.5 0.5 2.3
[1] 4d4m.a 0.8 0.9 0.8 0.6 0.5 0.5
0
0.5 0.5 0.9 0.4 0.3 2.3
[1] 5ajv.b 0.9 1.0 0.9 0.8 0.8 0.8 0.5
0
0.6 0.8 0.6 0.5 2.1
[1] 5ajw.a 0.9 0.9 0.9 0.7 0.7 0.7 0.5 0.6
0
0.8 0.5 0.4 2.1
[1] 5ajx.a 0.9 1.1 1.1 0.6 0.9 0.7 0.9 0.8 0.8
0
0.7 0.8 2.0
[1] 5ajy.a 0.8 0.8 0.9 0.5 0.5 0.5 0.4 0.6 0.5 0.7
0
0.4 2.1
[1] 5ajz.a 0.8 0.9 0.8 0.6 0.6 0.5 0.3 0.5 0.4 0.8 0.4
0
2.0
[1] 5ak0.a 2.3 2.3 2.3 2.3 2.4 2.3 2.3 2.1 2.1 2.0 2.1 2.0
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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