Receptor
PDB id Resolution Class Description Source Keywords
1T27 2.2 Å NON-ENZYME: BINDING THE STRUCTURE OF PITP COMPLEXED TO PHOSPHATIDYLCHOLINE RATTUS NORVEGICUS LIPID BINDING PROTEIN
Ref.: STRUCTURE OF A MULTIFUNCTIONAL PROTEIN. MAMMALIAN PHOSPHATIDYLINOSITOL TRANSFER PROTEIN COMPLEXED WITH PHOSPHATIDYLCHOLINE J.BIOL.CHEM. V. 276 9246 2001
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PCW A:501;
Valid;
none;
submit data
787.121 C44 H85 N O8 P CCCCC...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1T27 2.2 Å NON-ENZYME: BINDING THE STRUCTURE OF PITP COMPLEXED TO PHOSPHATIDYLCHOLINE RATTUS NORVEGICUS LIPID BINDING PROTEIN
Ref.: STRUCTURE OF A MULTIFUNCTIONAL PROTEIN. MAMMALIAN PHOSPHATIDYLINOSITOL TRANSFER PROTEIN COMPLEXED WITH PHOSPHATIDYLCHOLINE J.BIOL.CHEM. V. 276 9246 2001
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 473 families.
1 1T27 - PCW C44 H85 N O8 P CCCCCCCCC=....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 1T27 - PCW C44 H85 N O8 P CCCCCCCCC=....
2 2A1L - PCW C44 H85 N O8 P CCCCCCCCC=....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 1T27 - PCW C44 H85 N O8 P CCCCCCCCC=....
2 2A1L - PCW C44 H85 N O8 P CCCCCCCCC=....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PCW; Similar ligands found: 81
No: Ligand ECFP6 Tc MDL keys Tc
1 PCW 1 1
2 PSC 0.884615 1
3 LIO 0.871429 0.981481
4 HGX 0.871429 0.981481
5 PC7 0.871429 0.981481
6 PLD 0.871429 0.981481
7 HGP 0.871429 0.981481
8 6PL 0.871429 0.981481
9 LOP 0.826667 0.79661
10 L9Q 0.826667 0.79661
11 XP5 0.816901 0.981481
12 ZPE 0.782051 0.79661
13 L9R 0.7625 0.925926
14 PCK 0.753086 0.929825
15 PGW 0.746835 0.706897
16 PGV 0.7375 0.706897
17 DR9 0.7375 0.706897
18 P6L 0.728395 0.706897
19 GP7 0.72619 0.79661
20 42H 0.721519 0.964286
21 OZ2 0.719512 0.706897
22 PEV 0.706667 0.779661
23 PEH 0.706667 0.779661
24 PTY 0.706667 0.779661
25 PEF 0.706667 0.779661
26 8PE 0.706667 0.779661
27 9PE 0.697368 0.779661
28 PEK 0.682353 0.79661
29 PEE 0.675325 0.79661
30 B7N 0.670588 0.66129
31 DLP 0.659091 0.925926
32 PCF 0.65 0.907407
33 MC3 0.65 0.907407
34 PC1 0.65 0.907407
35 CD4 0.649351 0.714286
36 EPH 0.634409 0.79661
37 PGT 0.632911 0.689655
38 LHG 0.632911 0.689655
39 PIE 0.625 0.645161
40 P5S 0.617284 0.733333
41 LP3 0.607595 0.946429
42 LAP 0.607595 0.946429
43 LPC 0.607595 0.946429
44 P3A 0.606742 0.706897
45 3PH 0.6 0.714286
46 6PH 0.6 0.714286
47 LPP 0.6 0.714286
48 7PH 0.6 0.714286
49 7P9 0.592105 0.714286
50 PX2 0.592105 0.759259
51 CN3 0.588235 0.714286
52 OPC 0.571429 0.981818
53 CN6 0.564706 0.714286
54 PII 0.564706 0.645161
55 PIZ 0.561798 0.645161
56 PGK 0.555556 0.655738
57 PD7 0.552632 0.714286
58 T7X 0.552083 0.66129
59 PIF 0.551724 0.634921
60 IP9 0.550562 0.645161
61 3PE 0.547619 0.741379
62 44G 0.54321 0.689655
63 CDL 0.542169 0.709091
64 DGG 0.537634 0.655738
65 3XU 0.537634 0.825397
66 M7U 0.535714 0.714286
67 PIO 0.533333 0.634921
68 52N 0.533333 0.634921
69 PSF 0.53012 0.733333
70 S12 0.516854 0.733333
71 NKP 0.512195 0.701754
72 PDK 0.509804 0.765625
73 44E 0.506494 0.714286
74 SPU 0.5 0.819672
75 PC5 0.5 0.810345
76 8ND 0.5 0.603448
77 AGA 0.488636 0.689655
78 3PC 0.477273 0.888889
79 LPE 0.418605 0.892857
80 CN5 0.406593 0.732143
81 NKN 0.402439 0.684211
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1T27; Ligand: PCW; Similar sites found: 155
This union binding pocket(no: 1) in the query (biounit: 1t27.bio1) has 42 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1OGX EQU 0.004979 0.44624 None
2 1DZK PRZ 0.02131 0.41125 None
3 3DG6 MUC 0.0409 0.40022 1.10701
4 2X24 X24 0.02111 0.40531 1.84502
5 4MPO AMP 0.03456 0.4129 1.96078
6 3E3U NVC 0.03782 0.40195 2.03046
7 1Z03 OCH 0.01477 0.43875 2.21402
8 3SLS 77D 0.0208 0.40862 2.21402
9 4DOL PLM 0.005534 0.43629 2.30415
10 2OVW CBI 0.01346 0.44096 2.58303
11 3O2K DST 0.01766 0.43447 2.58303
12 4MZU TYD 0.04711 0.4117 2.58303
13 2R5V HHH 0.02918 0.41101 2.58303
14 3W54 RNB 0.03716 0.40234 2.58303
15 3GL0 HXX 0.04317 0.40218 2.58303
16 4A6D SAM 0.02145 0.40214 2.58303
17 4LA7 A1O 0.001845 0.43767 2.59067
18 4WVO 3UZ 0.005042 0.41353 2.76243
19 2HZQ STR 0.007714 0.45674 2.87356
20 4JH6 FCN 0.009741 0.44402 2.89855
21 2BYC FMN 0.03106 0.40629 2.91971
22 2WA4 069 0.002006 0.4706 2.95203
23 1TV5 N8E 0.006339 0.45896 2.95203
24 1H2M OGA 0.0295 0.42096 2.95203
25 1JL0 PUT 0.02641 0.42091 2.95203
26 2Y0I AKG 0.03699 0.41801 2.95203
27 3P3N AKG 0.03422 0.41726 2.95203
28 5AHS COA 0.02962 0.40418 2.95203
29 3HR1 PF9 0.02033 0.40048 2.95203
30 4JHG ZEA 0.02546 0.40743 2.97619
31 5MOB A8S 0.004195 0.45879 3.01724
32 4Q0K GA3 0.01125 0.42851 3.08642
33 4IBF 1D5 0.01621 0.42054 3.10078
34 4FE2 ASP 0.0389 0.40534 3.13725
35 3RY9 1CA 0.0235 0.40605 3.2
36 2OKL BB2 0.02328 0.40625 3.24324
37 3E2M E2M 0.01012 0.40598 3.24324
38 2OVD DAO 0.01823 0.43388 3.2967
39 3ZGJ RMN 0.01301 0.44179 3.32103
40 1J78 VDY 0.041 0.41031 3.32103
41 1P1M MET 0.01122 0.40939 3.32103
42 3K5X P8D 0.03821 0.40835 3.32103
43 2CM4 RCL 0.003859 0.43322 3.33333
44 1DKF BMS 0.006309 0.42052 3.43348
45 1DKF OLA 0.02923 0.40763 3.43348
46 4J25 OGA 0.01876 0.42871 3.49345
47 4OCT AKG 0.03759 0.40872 3.6036
48 4G8R 96P 0.04173 0.41823 3.69004
49 1OS7 AKG 0.01991 0.40365 3.69004
50 1OS7 TAU 0.01991 0.40365 3.69004
51 3KFF XBT 0.02444 0.42665 3.7037
52 3KFF ZBT 0.02444 0.42665 3.7037
53 1QIN GIP 0.002628 0.41472 3.82514
54 4F4S EFO 0.02723 0.42405 3.94737
55 2BWA GLC BGC 0.01444 0.43067 3.96476
56 5L9V OGA 0.009908 0.43925 3.96825
57 5L9B AKG 0.01048 0.43798 3.96825
58 4BQY FNT 0.0189 0.40469 3.96825
59 3G08 FEE 0.002807 0.40135 4.0404
60 1Y9Q MED 0.007912 0.45758 4.05904
61 3KV5 OGA 0.03982 0.42055 4.05904
62 3HQR OGA 0.01473 0.42632 4.06504
63 5OCA 9QZ 0.01821 0.44583 4.20168
64 2GC0 PAN 0.003661 0.4449 4.25532
65 3F81 STT 0.03756 0.40097 4.37158
66 4E2J MOF 0.01422 0.40755 4.4
67 1GT4 UNA 0.003571 0.44933 4.40252
68 5C3R AKG 0.002003 0.45745 4.42804
69 5C3R HMU 0.002003 0.45745 4.42804
70 1ITW ICT 0.02836 0.42257 4.42804
71 4S00 AKR 0.03286 0.41609 4.42804
72 2VFT SOR 0.02789 0.4156 4.42804
73 2WQN ADP 0.04218 0.4027 4.42804
74 5G5W R8C 0.009945 0.40129 4.42804
75 1YP0 PEF 0.00891 0.41385 4.60251
76 3L1N PLM 0.04306 0.41296 4.63918
77 1M2Z BOG 0.00872 0.47921 4.66926
78 4YGF AZM 0.01656 0.4103 4.70085
79 2PEH LYS ARG LYS SER ARG TRP ASP GLU THR PRO 0.0164 0.42776 4.7619
80 3HYW DCQ 0.00828 0.45886 4.79705
81 4UBS DIF 0.02086 0.43452 4.79705
82 3I53 SAH 0.00568 0.42563 4.79705
83 3B00 16A 0.03132 0.41293 4.79705
84 3NNT DQA 0.03616 0.40962 4.79705
85 3RGA LSB 0.005008 0.44214 4.947
86 2V5E SCR 0.006226 0.48022 4.9505
87 4MNS 2AX 0.0003284 0.4289 5.03145
88 4OAR 2S0 0.0009467 0.46469 5.03876
89 2E27 AB0 0.01379 0.42778 5.04202
90 2E3N 6CM 0.0005454 0.43836 5.09804
91 1H8S AIC 0.02804 0.41928 5.15873
92 4QDF 30Q 0.001792 0.46398 5.16605
93 4YVN EBS 0.00932 0.4515 5.16605
94 2YG2 S1P 0.003373 0.4326 5.23256
95 2YG2 FLC 0.004063 0.42015 5.23256
96 1NF8 BOG 0.003723 0.48652 5.31401
97 1N5S ADL 0.02455 0.40821 5.35714
98 3THR C2F 0.0341 0.40114 5.53506
99 2AGC DAO 0.002672 0.4741 5.55556
100 5AIG VPR 0.02323 0.41979 5.6
101 5NBW 8SK 0.04647 0.40051 5.60748
102 5DCH 1YO 0.03468 0.42114 5.72917
103 4L4J NAG NAG BMA MAN NAG 0.01085 0.43163 5.88235
104 3JQ3 ADP 0.01549 0.42907 5.90406
105 5V4R MGT 0.0007282 0.5279 6.17284
106 5UC9 MYR 0.02567 0.42135 6.19469
107 4IAW LIZ 0.004026 0.45972 6.38298
108 1OGZ EQU 0.02309 0.41626 6.4
109 2ET1 GLV 0.03286 0.42007 6.46766
110 5FU3 BGC BGC BGC 0.0104 0.44783 6.60377
111 4H6B 10Y 0.03861 0.41174 6.66667
112 1OW4 2AN 0.006552 0.44434 6.97674
113 3TDC 0EU 0.00007316 0.6091 7.01107
114 4MA7 P2Z 0.008346 0.42585 7.01754
115 3FAL REA 0.04269 0.40578 7.14286
116 4QM9 CYS 0.00514 0.46643 7.38007
117 3G58 988 0.01171 0.43545 7.38007
118 3SDV 911 0.03405 0.40427 7.38007
119 3ZCB ATP 0.03795 0.40187 7.57576
120 1V9T SIN ALA PRO ALA NIT 0.02396 0.42713 7.83133
121 3KDJ A8S 0.001307 0.46219 7.92079
122 4HN1 TYD 0.01517 0.42954 7.9602
123 3K3K A8S 0.006168 0.4272 8.05687
124 3B6R ADP 0.008075 0.43197 8.48709
125 1XVB 3BR 0.01778 0.42591 8.48709
126 3TTY GLA 0.03294 0.41549 8.48709
127 3VQ2 LP4 LP5 MYR DAO 0.0008522 0.40965 8.85609
128 3QRC SCR 0.0001142 0.54352 8.9172
129 1OPB RET 0.02481 0.40198 8.95522
130 3WDX BGC BGC GLC 0.01693 0.40692 9.22509
131 2YOO K2B 0.02189 0.40457 9.22509
132 1DTL BEP 0.04431 0.40159 9.31677
133 2E56 MYR 0.004347 0.4086 9.72222
134 2HKA C3S 0.01514 0.41215 10
135 3B6C SDN 0.03479 0.41813 10.2564
136 1BHX ASP PHE GLU GLU ILE 0.0373 0.40891 10.4762
137 2VWA PTY 0.01534 0.44253 10.8911
138 4QCK ASD 0.002021 0.4658 11.0701
139 1LFO OLA 0.007054 0.42779 11.7188
140 3N0Y APC 0.008236 0.41254 11.7318
141 1OJJ GLC GAL 0.01445 0.43482 11.8081
142 4DS8 A8S 0.004306 0.44939 11.9617
143 3OJI PYV 0.01152 0.41466 12.1693
144 5FPX GLY SER SER HIS HIS HIS HIS HIS 0.00218 0.45176 12.3894
145 4IMO PWZ 0.01656 0.43727 13.0682
146 3TL1 JRO 0.01054 0.44682 14.4654
147 4UCC ZKW 0.04271 0.42072 18.8841
148 1GEG GLC 0.02672 0.40916 19.9219
149 4MG8 27J 0.01181 0.42745 30.7692
150 4MGD 27N 0.01408 0.42362 30.7692
151 2QA8 GEN 0.0228 0.41308 30.7692
152 3UUA 0CZ 0.03701 0.40243 30.7692
153 1NRL SRL 0.0155 0.40869 32
154 1UO5 PIH 0.01863 0.46454 35.2941
155 1K7L 544 0.01193 0.40041 38.0952
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