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. Author manuscript; available in PMC: 2021 Feb 4.
Published in final edited form as: Structure. 2019 Dec 3;28(2):223–235.e2. doi: 10.1016/j.str.2019.11.007

Table 1.

Proteins with cryptic sides studied

Apoa Holoa Ligb Name Nc Figure Site
2CM2_A 2H4K_A 509 PTP1B 19 1 High affinity pTyr binding site
1 PKL_B 3HQP_P ATP Pyruvate kinase enzyme 10 3A ATP+Oxalate binding site
1RTC_A 1BR6_A PT1 Ricin 23 3B Pteroic acid binding at the active site
1RHB_A 2W5K_B NDP Ribonuclease A. 83 3C NADPH binding at the active site
3CJ0_A 2BRL_A POO HCV polymerase NS5B 249 3D Between fingers and thumb domains
2F6V_A 1T49_A 892 PTP1B 108 3E Allosteric site under the C-terminal helix
1ZAH_B 2OT1_D N3P Fructose aldolase 36 3F Competitive inhibitor binding site
1 G24_D 1GZF_C NIR Rho ADP-Ribosyl. Enz. 15 S1 Structure also contain NAD and ADP
1 W50_A 3IXJ_C 586 BACE-1 protease 19 4 Active site, too open in apo structure
1BSQ_A 1 GX8_A RTL Bovine Beta-lactoglobulin 34 5A Retinol binding in the central cavity
1HAG_E 1GHY_H 121 Thrombin 52 5B Pocket is too open with flexible loops
3F74_C 3BQM_C BQM Alpha-L (Integrin) domain 25 5C Active site with disordered C terminus
1MY0_B 1N0T_D AT1 Glutamate receptor 2 26 5D Stabilizes the open form of the receptor
1XCG_B 10W3_B GDP Transforming protein 12 S2 GDP interacts only with RhoA
1 JWP_A 1 PZ0_A CBT TEM β-lactamase 21 6 Allosteric site between two helixes
2BLS_B 3GQZ_A GF7 AMPc beta-lactamase 35 8A Weak peripheral allosteric site
2BU8_A 2BU2_A TF1 Pyruvate dehyd. kinase 11 8B Allosteric inhibitor site
3CJ0_A 3FQK_B 79Z HCV polymerase NS5B 143 8C Binding near the active site.
2BRK_A 2GIR_B NN3 HCV polymerase NS5B 186 S3A Non-nucleotide inhibitor (thumb) site
1FXX_A 3HL8_A BBP Exodeoxyribonuclease I 14 8D BBP prevents Exol/SSB interactions
1OK8_A 10KE_B BOG Dengue 2 virus envelope 15 8E Site is between two domains
2AKA_A 1 YV3_A BIT Myosin II 30 8F Narrow planar ligand binding site
3MN9_A 3EKS_A CY9 Monomer. actin with toxin 36 S3B Binding to the barbed end of filaments
1 NUW_A 1 EYJ_B AMP Fruct. 1,6- bisphosphatase 25 S3C AMP binding site
3PUW_E 1FQC_A GLO Maltodextrin/maltose BP 19 S3D Interdomain binding
3KQA_B 3LTH_A UD1 MurA dead-end complex 13 S3E Interdomain binding
3GXD_B 2WCG_A MT5 Acid-beta-glucosidase 26 S3F Active site
1BNC_B 2V5A_A LZL Biotin carboxylase 18 S4A ATP competitive inhibitor site
1MY1_C 1FTL_A DNQ Glutamate receptor 2. 26 S4B Interdomain binding
2AX9_A 2PIQ_A RB1 Androgen receptor 23 S4C Allosteric inhibitor binds on surface
2ZB1_A 2NPQ_A BOG P38 MAP kinase 144 S4D Helix 253–261 moves outward
2AIR_H 1ZA1_D CTP Aspartate
transcarbamylase
60 S5 Binds CTP at the flexible N-terminal
a

PDB ID of the apo and holo structures in the CryptoSite database.

b

Name of the ligand binding at the cryptic site.

c

Number of structures considered.