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Table 5 Peptide 5-catalytic domain residue interaction fingerprint

From: Comparing sequence and structure of falcipains and human homologs at prodomain and catalytic active site for malarial peptide based inhibitor design

Protein Subsite Non-subsite residues
S1 S2 S3 S1′
FP-2 Q279, C282, G283, C323 L327, I328, S392, L415, N416, A418, D477 N320, G325, G326 V395, S396, A400, H417, A418, N447, W449 K280, W286, R470, C285
FP-3 Q287, C290, G291, Y332 Y335, S400, P423, A426, E485 K327, N328 A402, A403, S404, A408, N424, H425, N455, W457 L289, C293, W294, N338
VP-2 Q282, G286, Y327 F330, I331, P418, N419, A421 Q322, N323, G328, G329 I396, A397, V398, A403, H420, N451 D282, F331, P332, Y351, E367, F389
VP-3 Q288, C291, G292, C332, D333 N336, I337, S401, P424, N425 G334, G335, N329 I402, C403, A404, N405, H426, W458 D287, K289, C294, D406, S423, S457, G459, K458, W462
KP-2 Q288, C291, G292, C332, D333 L336, I337, S401, P424, N425, A427, E486 N329, G333, G334 N403, A404, N405, T409, H426, N456, W458 K289, N290, A293, C294, W295, E382, N405, D406, S457
KP-3 Q274, C277, G278, C318, D319 F322, N387, T410, N411, E472 Q314, N3145, N316, G320, G321 I388, A389, V390, S391, A395, N442, W444 G275, S279, C280, P324, R325, E368, N387, D392, T409
BP-2 Q264, A268, C308, E309 I312, A377, A400, N401, A403 N304, N305, F306, G311 V378, G379, D381, H402, N432, W434 K266, A272, P314, Y334, E349, A367, I376
CP-2 Q267, C270, A271, E312 I315, L316, A380, A303, N404, A406 N307, N308, D309, G314 V381, G382, A383, S384, H405, N437 K265, W274, Q306, P337, K351
YP-2 C271, A272, D313 I316, L317, A381, A404, N405, A407 N308, N309, F310, G314 V382, G383, V384, A385, H406, N438 Q269, W275, F310, E353, I380
Cat-K C136, G137 Y181, M182, A248, L274, N275, A277 G179 D250, A251, S252, H276 C139, W140, F186, Y224, F256, W302, E226
Cat-L C135, N179 L182, A248, D275, G277 N175 I249, A251, L257, H276 P172, G224, A234, I263
Cat-S C134, N179 F182, G249, V274, N275, F323 N175, K176, G180 R253, F258, W298 Y173, Y225, E227, P229, Y230
  1. Italics are residues forming hydrogen bonds with the peptide
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