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Table 4 1A6U best pockets with residues in common with the 2 active sites, HAP and AC1

From: A simple method for finding a protein’s ligand-binding pockets

POCKET # 1, cf= 0.31 & 0.33

ASN 354H (11.61)

SER 331H (10.79)

TYR 34 L (4.27)

ASP 352H (7.07)

THR 328H (14.41)

TYR 332H (8.34)

ILE 351H (6.25)

THR 330H (12.29)

TYR 401H (2.92)

SER 32 L (6.81)

TRP 333H (1.734)

TYR 402H (5.75)

POCKET # 39, cf= 0.31 & 0.22

ALA 2 L (15.1365)

HIS 97 L (6.8477)

THR 26 L (15.7431)

ARG 350H (2.89)

ILE 348H (9.34)

TRP 98 L (3.24)

ASN 96 L (7.12)

LYS 359H (5.38)

TRP 347H (4.78)

ASN 361H (9.75)

LYS 365H (14.84)

TYR 94 L (7.84)

GLU 362H (12.30)

PHE 364H (13.46)

TYR 360H (8.34)

GLY 349H (6.45)

SER 366H (17.38)

VAL 99 L (9.69)

POCKET # 137, cf= 0.25 & 0.33

ASP 400H (5.44)

THR 31 L (8.29)

TYR 401H (2.92)

SER 405H (3.65)

TYR 34 L (4.27)

TYR 402H (5.75)

POCKET # 143, cf= 0.44 & 0.56

ARG 350H (2.89)

SER 95 L (5.42)

TYR 332H (8.34)

ASN 354H (11.61)

SER 331H (10.79)

TYR 401H (2.92)

ASP 352H (7.07)

TRP 93 L (3.36)

TYR 402H (5.75)

ILE 351H (6.25)

TRP 333H (1.73)

 

SER 32 L (6.81)

TYR 34 L (4.27)

 
  1. There are four predicted pockets with more than 25% of residues in common between the pockets and the active sites. The values in parentheses are the minimum residue distances for 1A6U to the ligand atoms of NIP reported in the heterogenic atom lines in the PDB file of 1A6W.