3GQY

activator-bound structure of human pyruvate kinase m2

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 132
  • Norm. En. per Res.: -4.2001
• Hub Node: A(3)

All Interactions

Chains	Hydro. Bond Ener. (kJ/mol)	Elec. Ener. (kJ/mol)	VDW. Ener. (kJ/mol)	Tot. Stab. Ener. (kJ/mol)	#int. res.	# Short cont.	#Hydr. int.	#VDW pairs	#salt bridges	#Pot. fav. elec. int	#Pot. unfav. elec. int
A-B	-168.1471	-123.0958	-731.551	-1022.794	256	31	17	31000	11	132	110
A-C	-71.6041	-32.7393	-318.51	-422.8534	124	15	6	13827	3	41	38
A-D	0.0	15.8749	-2.0206	13.8543	7	0	0	104	0	2	5
B-C	0.0	15.0471	-1.7438	13.3034	8	0	0	104	0	2	5
B-D	-123.6176	-74.6519	-356.149	-554.4185	132	16	6	14939	6	42	39
C-D	-172.5075	-118.6447	-740.209	-1031.3612	253	30	17	31263	11	135	105

Interface residues

• A-B: ALA20A, ALA20B, ALA23A, ALA293A, ALA293B, ALA303A, ALA303B, ALA309A, ALA309B, ALA320A, ALA320B, ALA327A, ALA327B, ALA343A, ALA343B, ALA349A, ALA349B, ALA351A, ALA351B, ALA356A, ALA356B, ALA382A, ALA382B, ALA385A, ALA385B, ALA387A, ALA387B, ALA388A, ALA388B, ALA402A, ALA402B, ARG278A, ARG278B, ARG294A, ARG294B, ARG316A, ARG316B, ARG319A, ARG319B, ARG32A, ARG32B, ARG339A, ARG339B, ARG342A, ARG342B, ARG376A, ARG376B, ARG383A, ARG383B, ARG399A, ARG399B, ARG400A, ARG400B, ARG443B, ARG445A, ARG445B, ASN199A, ASN199B, ASN210A, ASN273A, ASN273B, ASN318A, ASN318B, ASN350A, ASN350B, ASP177A, ASP178A, ASP178B, ASP24A, ASP24B, ASP281A, ASP281B, ASP296A, ASP296B, ASP347A, ASP347B, ASP34A, ASP34B, ASP354A, ASP354B, ASP36A, ASP36B, CYS317A, CYS317B, CYS31A, CYS31B, CYS326A, CYS326B, GLN17A, GLN17B, GLN310A, GLN310B, GLN329A, GLN329B, GLN378A, GLN378B, GLN393A, GLN393B, GLU198A, GLU275A, GLU275B, GLU28A, GLU28B, GLU300A, GLU300B, GLU304A, GLU304B, GLU332A, GLU332B, GLU344A, GLU344B, GLU364A, GLU364B, GLU373B, GLU384A, GLU384B, GLU386A, GLU386B, GLU396A, GLU396B, GLU397A, GLU397B, GLY179A, GLY179B, GLY200A, GLY201A, GLY276A, GLY276B, GLY295A, GLY295B, GLY298A, GLY298B, GLY315A, GLY315B, GLY321A, GLY321B, GLY345A, GLY345B, GLY355A, GLY355B, HIS19A, HIS19B, HIS274A, HIS274B, HIS29A, HIS29B, HIS379A, HIS379B, ILE181A, ILE181B, ILE271A, ILE271B, ILE299A, ILE299B, ILE301A, ILE301B, ILE314A, ILE314B, ILE335A, ILE35A, ILE35B, ILE381A, ILE381B, ILE389A, ILE389B, LEU180A, LEU180B, LEU27A, LEU27B, LEU284A, LEU297A, LEU297B, LEU308A, LEU308B, LEU331A, LEU331B, LEU33A, LEU33B, LEU353A, LEU353B, LEU380A, LEU380B, LEU394A, LEU394B, LEU398A, LEU398B, LEU401A, LEU401B, LYS136A, LYS305A, LYS305B, LYS311A, LYS311B, LYS336B, LYS337A, LYS337B, MET30A, MET30B, MET312A, MET312B, MET313A, MET313B, MET330A, MET330B, MET334B, MET377A, MET377B, PHE26A, PHE26B, PHE280A, PHE280B, PHE307A, PHE307B, PRO302A, PRO302B, PRO338A, PRO338B, PRO340A, PRO340B, PRO38A, PRO38B, PRO39A, PRO39B, SER182A, SER182B, SER202A, SER333A, SER333B, SER346A, SER346B, SER37A, SER37B, THR25A, THR25B, THR328A, THR328B, THR341A, THR341B, TYR175A, TYR175B, TYR370A, TYR370B, TYR390A, TYR390B, VAL277A, VAL277B, VAL292A, VAL292B, VAL306A, VAL306B, VAL324A, VAL324B, VAL348A, VAL348B, VAL352A, VAL352B
• A-C: ALA23A, ALA402A, ALA402C, ALA411A, ALA411C, ALA413A, ALA413C, ALA416A, ALA416C, ALA419A, ALA419C, ALA483A, ARG399A, ARG399C, ARG400A, ARG400C, ARG443A, ARG443C, ARG516C, ARG526A, ARG526C, ASN523A, ASN523C, ASP24A, ASP24C, ASP407A, ASP407C, ASP487A, ASP507A, ASP507C, CYS423A, CYS423C, CYS424A, CYS424C, GLN393C, GLN440A, GLN440C, GLU396A, GLU396C, GLU397A, GLU410A, GLU410C, GLU418A, GLU418C, GLY415A, GLY415C, GLY506A, GLY506C, GLY514A, GLY514C, HIS391A, HIS391C, ILE404A, ILE404C, ILE510A, ILE510C, LEU18A, LEU18C, LEU392A, LEU392C, LEU398A, LEU398C, LEU401A, LEU401C, LEU512A, LEU512C, LYS422A, LYS422C, MET22A, MET22C, MET525A, MET525C, PHE395A, PHE395C, PHE421A, PHE421C, PHE521A, PHE521C, PRO403A, PRO403C, PRO408A, PRO408C, PRO529A, PRO529C, SER406A, SER406C, SER420A, SER420C, SER425A, SER425C, THR405A, THR405C, THR409A, THR409C, THR412A, THR412C, THR513A, THR513C, THR522A, THR522C, THR524A, THR524C, TRP482A, TRP515A, TRP515C, TYR390A, TYR444A, TYR444C, VAL414A, VAL414C, VAL417A, VAL417C, VAL486A, VAL490A, VAL508A, VAL508C, VAL509A, VAL509C, VAL511A, VAL511C, VAL527A, VAL527C, VAL528A, VAL528C
• A-D: ARG400D, ASP24A, ASP24D, GLN393A, GLU396D, THR25A, THR25D
• B-C: ARG400B, ASP24B, ASP24C, GLN393C, GLU396B, GLU397C, THR25B, THR25C
• B-D: ALA21B, ALA21D, ALA23B, ALA23D, ALA402B, ALA402D, ALA411B, ALA411D, ALA413B, ALA413D, ALA416B, ALA416D, ALA419B, ALA419D, ARG399B, ARG399D, ARG400B, ARG400D, ARG443B, ARG443D, ARG447B, ARG447D, ARG526B, ARG526D, ASN523B, ASN523D, ASP24B, ASP24D, ASP407B, ASP407D, ASP507B, ASP507D, CYS423B, CYS423D, CYS424B, CYS424D, GLN393B, GLN393D, GLN440B, GLN440D, GLU396B, GLU396D, GLU397B, GLU397D, GLU410B, GLU410D, GLU418B, GLU418D, GLY415B, GLY415D, GLY506B, GLY506D, GLY514B, GLY514D, HIS391B, HIS391D, ILE404B, ILE404D, ILE510B, ILE510D, LEU18B, LEU18D, LEU392B, LEU392D, LEU394B, LEU394D, LEU398B, LEU398D, LEU401B, LEU401D, LEU512B, LEU512D, LYS422B, LYS422D, MET22B, MET22D, MET525B, MET525D, PHE26B, PHE26D, PHE395B, PHE395D, PHE421B, PHE421D, PHE521B, PHE521D, PRO403B, PRO403D, PRO408B, PRO408D, PRO529B, PRO529D, SER406B, SER406D, SER420B, SER420D, SER425B, SER425D, THR25B, THR25D, THR405B, THR405D, THR409B, THR409D, THR412B, THR412D, THR513B, THR513D, THR522B, THR522D, THR524B, THR524D, TRP515B, TRP515D, TYR390B, TYR390D, TYR444B, TYR444D, VAL414B, VAL414D, VAL417B, VAL417D, VAL508B, VAL508D, VAL509B, VAL509D, VAL511B, VAL511D, VAL527B, VAL527D, VAL528B, VAL528D
• C-D: ALA20C, ALA20D, ALA23C, ALA293C, ALA293D, ALA303C, ALA303D, ALA309C, ALA309D, ALA320C, ALA320D, ALA327C, ALA327D, ALA343C, ALA343D, ALA349C, ALA349D, ALA351C, ALA351D, ALA356C, ALA356D, ALA382C, ALA382D, ALA385C, ALA385D, ALA387C, ALA387D, ALA388C, ALA388D, ALA402C, ALA402D, ARG278C, ARG278D, ARG294C, ARG294D, ARG316C, ARG316D, ARG319C, ARG319D, ARG32C, ARG32D, ARG339C, ARG339D, ARG342C, ARG342D, ARG376C, ARG376D, ARG383C, ARG383D, ARG399C, ARG399D, ARG400C, ARG400D, ARG443C, ARG443D, ARG445D, ASN199C, ASN210C, ASN273C, ASN273D, ASN318C, ASN318D, ASN350C, ASN350D, ASP177C, ASP177D, ASP178C, ASP178D, ASP24C, ASP24D, ASP281C, ASP281D, ASP296C, ASP296D, ASP347C, ASP347D, ASP34C, ASP34D, ASP354C, ASP354D, ASP36C, ASP36D, CYS317C, CYS317D, CYS31C, CYS31D, CYS326C, CYS326D, GLN17C, GLN17D, GLN310C, GLN310D, GLN329C, GLN329D, GLN378C, GLN378D, GLN393C, GLN393D, GLU198C, GLU275C, GLU275D, GLU28C, GLU28D, GLU300C, GLU300D, GLU304C, GLU304D, GLU332C, GLU332D, GLU344C, GLU344D, GLU364C, GLU364D, GLU373D, GLU384C, GLU384D, GLU386C, GLU386D, GLU396C, GLU396D, GLU397C, GLU397D, GLY179C, GLY179D, GLY200C, GLY201C, GLY276C, GLY276D, GLY295C, GLY295D, GLY298C, GLY298D, GLY315C, GLY315D, GLY321C, GLY321D, GLY345C, GLY345D, GLY355C, GLY355D, HIS19C, HIS19D, HIS274C, HIS274D, HIS29C, HIS29D, HIS379C, HIS379D, ILE181C, ILE181D, ILE271C, ILE271D, ILE299C, ILE299D, ILE301C, ILE301D, ILE314C, ILE314D, ILE35C, ILE35D, ILE381C, ILE381D, ILE389C, ILE389D, LEU180C, LEU180D, LEU27C, LEU27D, LEU297C, LEU297D, LEU308C, LEU308D, LEU331C, LEU331D, LEU33C, LEU33D, LEU353C, LEU353D, LEU380C, LEU380D, LEU394C, LEU394D, LEU398C, LEU398D, LEU401C, LEU401D, LYS136C, LYS305C, LYS305D, LYS311C, LYS311D, LYS336D, LYS337C, LYS337D, MET30C, MET30D, MET312C, MET312D, MET313C, MET313D, MET330C, MET330D, MET334D, MET377C, MET377D, PHE26C, PHE26D, PHE280C, PHE280D, PHE307C, PHE307D, PRO302C, PRO302D, PRO338C, PRO338D, PRO340C, PRO340D, PRO38C, PRO38D, PRO39C, PRO39D, SER182C, SER202C, SER333C, SER333D, SER346C, SER346D, SER37C, SER37D, THR25C, THR25D, THR328C, THR328D, THR341C, THR341D, TYR175C, TYR175D, TYR370D, TYR390C, TYR390D, VAL176D, VAL277C, VAL277D, VAL292C, VAL292D, VAL306C, VAL306D, VAL324C, VAL324D, VAL348C, VAL348D, VAL352C, VAL352D