4A22

structure of mycobacterium tuberculosis fructose 1,6-bisphosphate aldolase bound to n-(4-hydroxybutyl)-glycolohydroxamic acid bis-phosphate

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 35
  • Norm. En. per Res.: -4.7033
• 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	-67.8611	15.6074	-758.196	-810.4497	228	28	24	30573	4	54	47
A-C	-20.8687	-35.1357	-99.2809	-155.2853	37	6	3	3350	2	14	4
A-D	-25.6275	-8.3364	-58.6233	-92.5872	26	2	4	2471	0	6	10
B-C	-25.0737	-8.1682	-57.1154	-90.3572	26	2	4	2518	0	6	9
B-D	-20.3076	-36.713	-107.596	-164.6166	35	5	3	3402	2	14	3
C-D	-78.3522	16.6007	-765.692	-827.4434	223	28	24	30355	1	55	46

Interface residues

• A-B: ALA282A, ALA282B, ALA288A, ALA288B, ALA320A, ALA320B, ALA322A, ALA322B, ALA36A, ALA36B, ALA42A, ALA42B, ALA57A, ALA57B, ALA72A, ALA72B, ALA74A, ALA74B, ALA76A, ALA76B, ALA83A, ALA83B, ALA84A, ALA84B, ARG285A, ARG285B, ARG314A, ARG314B, ARG327A, ARG327B, ASN219A, ASN219B, ASN27A, ASN27B, ASN294A, ASN294B, ASN35A, ASN35B, ASP276A, ASP276B, ASP278A, ASP278B, ASP296A, ASP296B, ASP302A, ASP302B, ASP312A, ASP312B, ASP43A, ASP43B, ASP67A, ASP67B, CYS28A, CYS28B, GLN280A, GLN280B, GLN326A, GLU304A, GLU304B, GLU321A, GLU321B, GLU32A, GLU32B, GLU58A, GLU58B, GLU77A, GLU77B, GLY167A, GLY167B, GLY213A, GLY213B, GLY256A, GLY256B, GLY289A, GLY289B, GLY297A, GLY297B, GLY303A, GLY303B, GLY306A, GLY306B, GLY40A, GLY40B, GLY55A, GLY55B, GLY56A, GLY56B, GLY60A, GLY60B, GLY62A, GLY62B, GLY64A, GLY64B, GLY71A, GLY71B, HIS212A, HIS212B, HIS290A, HIS290B, HIS80A, HIS80B, ILE112A, ILE112B, ILE287A, ILE287B, ILE38A, ILE38B, ILE82A, ILE82B, LEU124A, LEU124B, LEU299A, LEU299B, LEU317A, LEU317B, LEU63A, LEU63B, LEU75A, LEU75B, LYS216A, LYS216B, LYS300A, LYS300B, LYS308A, LYS308B, LYS309A, LYS309B, LYS318A, LYS318B, LYS319A, LYS319B, LYS39A, LYS39B, LYS66A, LYS66B, LYS85A, LYS85B, MET291A, MET291B, MET324A, MET324B, MET68A, MET68B, PHE283A, PHE283B, PHE292A, PHE292B, PHE52A, PHE59A, PHE59B, PHE78A, PHE78B, PRO217A, PRO217B, PRO286A, PRO286B, PRO313A, PRO313B, PRO87A, PRO87B, SER255A, SER255B, SER30A, SER30B, SER315A, SER315B, SER31A, SER31B, SER323A, SER323B, SER325A, SER325B, SER53A, SER53B, SER61A, SER61B, THR277A, THR277B, THR279A, THR279B, THR284A, THR284B, THR293A, THR293B, THR29A, THR29B, THR33A, THR33B, THR54A, THR54B, THR70A, THR70B, THR79A, THR79B, TYR215A, TYR215B, TYR281A, TYR281B, TYR295A, TYR295B, TYR311A, TYR311B, TYR316A, TYR316B, TYR86A, TYR86B, VAL214A, VAL214B, VAL298A, VAL298B, VAL301A, VAL301B, VAL305A, VAL305B, VAL307A, VAL307B, VAL310A, VAL310B, VAL34A, VAL34B, VAL65A, VAL65B, VAL69A, VAL69B, VAL73A, VAL73B, VAL81A, VAL81B
• A-C: ALA288A, ALA288C, ARG285A, ARG285C, ASN294A, ASN294C, ASP296A, ASP296C, ASP302A, ASP302C, GLU304A, GLU304C, GLY289A, GLY289C, GLY297C, GLY303A, GLY303C, HIS290A, HIS290C, ILE287A, LEU299A, LEU299C, LYS216C, MET291A, MET291C, PHE292A, PHE292C, PRO286A, PRO286C, THR293A, THR293C, TYR281A, TYR281C, TYR295A, TYR295C, VAL301A, VAL301C
• A-D: ALA288A, ASP296A, ASP296D, ASP302A, ASP302D, GLU304A, GLU304D, GLY289A, GLY303A, GLY303D, LEU299A, LEU299D, LYS300A, LYS300D, MET291A, PHE292A, PHE292D, THR293A, TYR295A, TYR295D, VAL298A, VAL298D, VAL301A, VAL301D, VAL305A, VAL305D
• B-C: ALA288C, ASP296B, ASP296C, ASP302B, ASP302C, GLU304B, GLU304C, GLY289C, GLY303B, GLY303C, LEU299B, LEU299C, LYS300B, LYS300C, MET291C, PHE292B, PHE292C, THR293C, TYR295B, TYR295C, VAL298B, VAL298C, VAL301B, VAL301C, VAL305B, VAL305C
• B-D: ALA288B, ALA288D, ARG285B, ARG285D, ASN294B, ASN294D, ASP296B, ASP296D, ASP302B, ASP302D, GLU304B, GLU304D, GLY289B, GLY289D, GLY297D, GLY303D, HIS290B, HIS290D, ILE287D, LEU299B, LEU299D, MET291B, MET291D, PHE292B, PHE292D, PRO286B, PRO286D, THR293B, THR293D, TYR281B, TYR281D, TYR295B, TYR295D, VAL301B, VAL301D
• C-D: ALA282C, ALA282D, ALA288C, ALA288D, ALA320C, ALA320D, ALA322C, ALA322D, ALA36C, ALA36D, ALA42C, ALA42D, ALA57C, ALA57D, ALA72C, ALA72D, ALA74C, ALA74D, ALA76C, ALA76D, ALA83C, ALA83D, ALA84C, ALA84D, ARG285C, ARG285D, ARG314C, ARG314D, ARG327C, ARG327D, ASN219C, ASN219D, ASN27C, ASN27D, ASN294C, ASN294D, ASN35C, ASN35D, ASP276C, ASP276D, ASP278C, ASP278D, ASP296C, ASP296D, ASP302C, ASP302D, ASP312C, ASP312D, ASP43C, ASP43D, ASP67C, ASP67D, CYS28C, CYS28D, GLN280C, GLN280D, GLU304C, GLU304D, GLU321C, GLU321D, GLU32C, GLU32D, GLU58C, GLU58D, GLU77C, GLU77D, GLY167C, GLY213C, GLY213D, GLY256C, GLY289C, GLY289D, GLY297C, GLY297D, GLY303C, GLY303D, GLY306C, GLY306D, GLY40C, GLY40D, GLY55C, GLY55D, GLY56C, GLY56D, GLY60C, GLY60D, GLY62C, GLY62D, GLY64C, GLY64D, GLY71C, GLY71D, HIS212C, HIS212D, HIS290C, HIS290D, HIS80C, HIS80D, ILE112C, ILE112D, ILE287C, ILE287D, ILE38C, ILE38D, ILE82C, ILE82D, LEU124C, LEU124D, LEU299C, LEU299D, LEU317C, LEU317D, LEU63C, LEU63D, LEU75C, LEU75D, LYS216C, LYS216D, LYS300C, LYS300D, LYS308C, LYS308D, LYS309C, LYS309D, LYS318C, LYS318D, LYS319C, LYS319D, LYS39C, LYS39D, LYS66C, LYS66D, LYS85C, LYS85D, MET291C, MET291D, MET324C, MET324D, MET68D, PHE283C, PHE283D, PHE292C, PHE292D, PHE59C, PHE59D, PHE78C, PHE78D, PRO217C, PRO217D, PRO286C, PRO286D, PRO313C, PRO313D, PRO87C, PRO87D, SER255C, SER255D, SER30C, SER30D, SER315C, SER315D, SER31C, SER31D, SER323C, SER323D, SER325C, SER325D, SER53C, SER53D, SER61C, SER61D, THR277C, THR277D, THR279C, THR279D, THR284C, THR284D, THR293C, THR293D, THR29C, THR29D, THR33C, THR33D, THR54C, THR54D, THR70C, THR70D, THR79C, THR79D, TYR215C, TYR215D, TYR281C, TYR281D, TYR295C, TYR295D, TYR311C, TYR311D, TYR316C, TYR316D, TYR86C, TYR86D, VAL214C, VAL214D, VAL298C, VAL298D, VAL301C, VAL301D, VAL305C, VAL305D, VAL307C, VAL307D, VAL310C, VAL310D, VAL34C, VAL34D, VAL65C, VAL65D, VAL69C, VAL69D, VAL73C, VAL73D, VAL81C, VAL81D