Orbital docking to predict holo-structure from apo structure
Gene Symbol Apo PDB ID Holo PDB ID Ligand RMSDligand Density quality
HSP82 1ah6 1a4h dgm 3.3 very good
1am1 adp 3.6 unavailable
1bgq rdc 2.4 poor
2brc ct5 2.1 good
2iwx m1s 2.6 very good
UNG 1akz 2hxm 302 2.1 good
Fabp4 1alb 1lid ola 2.8 unavailable
1lif ste 2.9 unavailable
HSD17B1 1bhs 1dht dht 6.7 unavailable
3hb4 e2b 1.7
hemH 1doz 1c1h mmp 1
SRC 1fmk 2h8h h8h 1.5
2src anp 1.4
CDK2 1hcl 1di8 dtq 0.7
1jsv u55 0.9
1ke8 ls4 0.6
1oiq hdu 2.8 fair
1pye pm1 4 unavailable
1r78 fmd 1.5
1w0x olo 0.6
1y91 ct9 0.8
1ykr 628 4.4 unavailable
2a0c ck9 1.8
CHEK1 1ia8 1zlt hym 2
2br1 pfp 1
2brb pfq 0.6
2brg dfy 1.8
2brh dfw 0.5
2brm dfz 1.1
2bro df2 1.8
2c3j dbq 1.8
2c3l idz 0.4
2cgu 3a3 1
CLC 1lcl 1qkq man 11.3 unavailable
ABO 1lz7 1ziz gal 1
PTPN1 1oes 1bzj pic 7.2 unavailable
1no6 794 1.4
1ony 588 1.2
1q6j 335 0.7
1qxk 429 1.5
1wax lo1 0.9
2azr 982 1
2cni izf 2.3 unavailable
2h4g 694 1.2
2h4k 509 1.1
Mapk14 1p38 1bmk sb5 2.9 unavailable
2gtm lid 1.5
PPARG 1prg 1knu ypa 3.4 poor
2f4b eha 1
2i4j drj 6.4 poor
2q6s plb 2.7 good
3d6d lrg 10.4 poor
ttg 1pud 1enu apz 4.8 very good
1k4h apq 1.3
1q4w dqu 0.7
1q63 aiq_a 2.1 fair
1q63 aiq_b 1.8
1q65 bhb 2.4 fair
1s38 maq 0.4
CDK2 1pw2 1aq1 stu 1.2
1e1v cmg 1.1
1e1x nw1 3.3 unavailable
1fvt 106 1.3
1h0v un4 0.8
1ke5 ls1 0.5
1ke6 ls2 0.4
1ke7 ls3 1.6
1ke9 ls5 1.3
1p2a 5bn 2
LGB 1qg5 1bso brc 1.6
MAPK14 1r39 1m7q dqo 1.2
1ouk 84 1.8
1ouy 94 2.1 good
1w7h 3ip 1.4
1w82 l10 7 unavailable
1wbn l09 1.4
1wbt wbt 0.9
3hrb i39 1.5
3itz p66 10.2 very good
LYZ 1tew 1ljn cbs 7.6 poor
HSP90AA1 1uyl 1uy6 pu3 1.2
1uy7 pu4 1.3
1uy8 pu5 2.3 very good
1uy9 pu6 1
1uyc pu7 1
1uyd pu8 1.3
1uye pu9 0.9
1uyf pu1 2.6 fair
1uyg pu2 0.7
1uyh pu0 1.1
MAPK14 1wfc 3mgy bog 20.9 very good
1kv1 bmu 0.8
1w84 l12 0.7
1wbo 2ch 2.8 unavailable
1wbw li4 2.8 unavailable
1yqj 6np 4.1 unavailable
1zzl tzy 0.9
3fc1 52p 2.2 very good
RNASE1 1xps 1w4o ua3 1.3
PIM1 1xqz 1xws bi1 1
1yxt anp 2.7 very good
3jy0 lyg 0.9
3jya lwg 3.6 very good
thrS 1y2q 2hl0 a3s 1.6
HSP90AA1 1yes 1yc4 43p 1.4
1yet gdm 3.3 unavailable
2ccs 4bh 0.9
2cct 2r1 0.8
2qg2 a91 4.6 unavailable
E 226l 225l pxy 13.7 good
225l bme 901 29 good
225l bme 902 26.5 very good
PDK2 2btz 2bu5 tf1 39.4 unavailable
2bu6 tf2 32.8 unavailable
2bu7 tf3 1.9 unavailable
celH 2bv9 2bvd isx 1.3
rep 2bx3 2gz7 d3f 7.5 poor
CLK3 2eu9 2wu6 dki 2.4 very good
2wu7 v25 2.1 good
rep 2h2z 2zu4 zu3 2.4 fair
ACACB 2hjw 3jrx s1a 1.3
aroK 2iyt 2iys skm 3.7 poor
GATM 2jdw 1jdx nva 2.2 unavailable
3jdw orn 4.2 unavailable
6jdw abu 4.3 unavailable
7jdw dav 4.6 unavailable
9jdw aba 0.9
FKBP1A 2ppn 1fkg sb3 4.9 unavailable
BACE1 2zht 2hm1 liq 1.7
3igb 454 0.9
3in4 bx2 0.8
3ind 593 0.9
BACE1 2zhv 2iqg f2i 1.2
2qu3 462 8.6 unavailable
2ze1 411 1.4
3in3 472 1
3inh 569 0.8
3ivh 1li 0.7
PPARG 2zk0 2hwq dry 8.9 very poor
2hwr drd 42.1 very poor
2i4z drh 40.9 poor
2q8s l92 1.1
3hod zzh 2.1 good
RNASE1 3ev2 1jvu c2p 37.3 unavailable