|
PDB ID
|
Cavity center
|
Ligand
|
PDB ID
|
Cavity center
|
Ligand
|
|---|
|
Hexose-like ligands
| | |
|
1A8U
|
4320, 4323
|
BEZ-1
|
1AI7
|
6074, 6077
|
IPH-1
|
|
1AWB
|
4175, 4178
|
IPD-2
|
1DBN
|
pyranose ring
|
GAL-102
|
|
1EOB
|
3532, 3536
|
DHB-999
|
1F9G
|
5792, 5785, 5786
|
ASC-950
|
|
1G0H
|
4045, 4048
|
IPD-292
|
1JU4
|
4356, 4359
|
BEZ-1
|
|
1LBX
|
3941, 3944
|
IPD-295
|
1LBY
|
3944, 3939, 3941
|
F6P-295
|
|
1LIU
|
15441, 15436, 15438
|
FBP-580
|
1MOR
|
pyranose ring
|
G6P-609
|
|
1NCW
|
3406, 3409
|
BEZ-601
|
1P5D
|
pyranose ring
|
G1P-658
|
|
1T10
|
4366, 4361, 4363
|
F6P-1001
|
1U0F
|
pyranose ring
|
G6P-900
|
|
1UKB
|
2144, 2147
|
BEZ-1300
|
1X9I
|
pyranose ring
|
G6Q-600
|
|
1Y9G
|
4124, 4116, 4117
|
FRU-801
|
2B0C
|
pyranose ring
|
G1P-496
|
|
2B32
|
3941, 3944
|
IPH-401
|
4PBG
|
pyranose ring
|
BGP-469
|
|
Other ligands
| | |
|
11AS
|
5132
|
ASN-1
|
11GS
|
1672, 1675
|
MES-3
|
|
1A0J
|
6985
|
BEN-246
|
1A42
|
2054, 2055
|
BZO-555
|
|
1A50
|
4939, 4940
|
FIP-270
|
1A53
|
2016, 2017
|
IGP-300
|
|
1AA1
|
4472, 4474
|
3PG-477
|
1AJN
|
6074, 6079
|
AAN-1
|
|
1AJS
|
3276, 3281
|
PLA-415
|
1AL8
|
2652
|
FMN-360
|
|
1B8A
|
7224
|
ATP-500
|
1BO5
|
7811
|
GOL-601
|
|
1BOB
|
2566
|
ACO-400
|
1D09
|
7246
|
PAL-1311
|
|
1EQY
|
3831
|
ATP-380
|
1IOL
|
2674, 2675
|
EST-400
|
|
1JTV
|
2136, 2137
|
TES-500
|
1KF6
|
16674, 16675
|
OAA-702
|
|
1RTK
|
3787, 3784
|
GBS-300
|
1TJ4
|
1947
|
SUC-1
|
|
1TVO
|
2857
|
FRZ-1001
|
1UK6
|
2142
|
PPI-1300
|
|
1W8N
|
4573, 4585
|
DAN-1649
|
1ZYU
|
1284, 1286
|
SKM-401
|
|
2D7S
|
3787
|
GLU-1008
|
2GAM
|
11955
|
NGA-502
|
|
3PCB
|
3421, 3424
|
3HB-550
| | | |
- The table lists the protein’s PDB ID, the ligand considered and the specified cavity center. 22 ligands are similar to hexoses in shape and/or size. The cavity center is the centroid of the reported PDB atom numbers.
