3HVY

crystal structure of putative cystathionine beta-lyase involved in aluminum resistance (np_348457.1) from clostridium acetobutylicum at 2.00 a resolution

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 192
  • Norm. En. per Res.: -4.0796
• 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	-128.719	-25.1703	-629.398	-783.2873	192	16	9	23752	2	22	37
A-C	-108.7065	-32.1456	-612.357	-753.2091	201	19	12	24229	5	80	83
A-D	0.0	0.0	-47.7631	-47.7631	32	3	0	1733	0	4	2
B-C	-2.5054	0.0	-51.3992	-53.9046	32	3	0	1767	0	4	2
B-D	-118.6209	-34.9123	-648.395	-801.9282	204	18	15	25067	8	80	88
C-D	-121.5256	-23.2896	-623.176	-767.9912	198	28	8	23704	2	22	37

Interface residues

• A-B: ALA103A, ALA103B, ALA106A, ALA106B, ALA107A, ALA107B, ALA250A, ALA250B, ALA266A, ALA266B, ALA379A, ALA379B, ALA386A, ALA386B, ARG113A, ARG113B, ARG145A, ARG145B, ARG269A, ARG269B, ARG75A, ARG75B, ARG94A, ARG94B, ASN111A, ASN111B, ASN115A, ASN115B, ASN64A, ASN64B, ASN71A, ASN71B, ASN99A, ASN99B, ASP116A, ASP116B, ASP127A, ASP127B, ASP131A, ASP131B, ASP72A, ASP72B, CYS279A, CYS279B, GLN265A, GLN265B, GLN384A, GLN384B, GLU146A, GLU146B, GLU261A, GLU261B, GLU278A, GLU278B, GLY100A, GLY100B, GLY105A, GLY105B, GLY110A, GLY110B, GLY134A, GLY134B, GLY142A, GLY142B, GLY148A, GLY148B, GLY253A, GLY253B, GLY274A, GLY274B, GLY276A, GLY276B, GLY277A, GLY277B, GLY280A, GLY280B, GLY284A, GLY284B, GLY385A, GLY385B, GLY67A, GLY67B, GLY69A, GLY69B, HIS102A, HIS102B, HIS130A, HIS130B, HIS96A, HIS96B, ILE104A, ILE104B, ILE132A, ILE132B, ILE133A, ILE133B, ILE213A, ILE213B, ILE242A, ILE242B, ILE275A, ILE275B, LEU108A, LEU108B, LEU112A, LEU112B, LEU129A, LEU129B, LEU144A, LEU144B, LEU289A, LEU289B, LYS139A, LYS139B, LYS140A, LYS140B, LYS177A, LYS177B, LYS243A, LYS243B, PHE109A, PHE109B, PHE268A, PHE268B, PHE283A, PHE283B, PHE382A, PHE382B, PHE92A, PHE92B, PHE97A, PHE97B, PRO114A, PRO114B, PRO273A, PRO273B, PRO95A, PRO95B, SER143A, SER143B, SER240A, SER240B, SER281A, SER281B, SER387A, SER387B, SER65A, SER65B, SER66A, SER66B, THR101A, THR101B, THR128A, THR128B, THR251A, THR251B, THR252A, THR252B, THR264A, THR264B, THR267A, THR267B, THR271A, THR271B, THR282A, THR282B, THR381A, THR381B, TYR147A, TYR147B, TYR220A, TYR220B, TYR262A, TYR262B, TYR68A, TYR68B, TYR70A, TYR70B, VAL141A, VAL141B, VAL149A, VAL149B, VAL270A, VAL270B, VAL272A, VAL272B, VAL285A, VAL285B, VAL383A, VAL383B, VAL98A, VAL98B
• A-C: ALA250A, ALA250C, ALA296A, ALA296C, ALA354A, ALA354C, ALA379C, ALA413A, ALA413C, ALA51A, ALA51C, ARG287A, ARG287C, ARG41A, ARG41C, ARG56A, ARG56C, ARG7A, ARG7C, ASN11A, ASN44A, ASN44C, ASN84C, ASP358A, ASP358C, ASP38A, ASP38C, ASP411A, ASP411C, GLN352A, GLN352C, GLN362A, GLN362C, GLN384A, GLN384C, GLN45A, GLN45C, GLN53A, GLN53C, GLU225A, GLU226A, GLU226C, GLU291A, GLU291C, GLU302A, GLU302C, GLU31A, GLU31C, GLU389A, GLU389C, GLU39A, GLU39C, GLU3A, GLU3C, GLU42A, GLU42C, GLU54A, GLU54C, GLU55A, GLU55C, GLU59A, GLU59C, GLY0A, GLY247A, GLY247C, GLY248A, GLY248C, GLY292A, GLY292C, GLY350A, GLY350C, GLY380A, GLY380C, GLY407A, GLY407C, GLY416A, GLY416C, HIS298A, HIS298C, HIS412A, HIS412C, HIS61A, HIS61C, ILE15A, ILE15C, ILE249A, ILE249C, ILE301A, ILE301C, ILE351A, ILE351C, ILE388A, ILE388C, ILE40A, ILE40C, ILE419A, ILE419C, ILE57A, ILE57C, LEU27A, LEU27C, LEU289A, LEU289C, LEU293A, LEU293C, LEU2A, LEU2C, LEU390A, LEU390C, LEU408A, LEU408C, LEU415A, LEU415C, LEU418A, LEU418C, LEU46A, LEU46C, LEU49A, LEU49C, LEU78A, LEU78C, LEU9A, LEU9C, LYS12A, LYS12C, LYS305A, LYS305C, LYS35A, LYS35C, LYS414A, LYS414C, LYS47A, LYS47C, LYS50A, LYS50C, LYS6A, LYS6C, PHE294A, PHE294C, PHE34A, PHE34C, PHE360A, PHE360C, PHE382A, PHE382C, PHE410A, PHE410C, PHE4A, PHE4C, PHE52A, PHE52C, PHE62A, PHE62C, PRO297A, PRO297C, PRO356A, PRO356C, SER288A, SER288C, SER355A, SER355C, SER359A, SER359C, SER58A, SER58C, SER60A, SER60C, SER8A, SER8C, THR251A, THR251C, THR353A, THR353C, THR381A, THR381C, THR409A, THR409C, THR5A, THR5C, TYR13A, TYR13C, TYR23A, TYR23C, TYR290A, TYR290C, TYR36A, TYR36C, TYR37A, TYR37C, TYR43A, TYR43C, VAL299A, VAL299C, VAL357A, VAL357C, VAL361A, VAL361C, VAL383A, VAL383C, VAL48A, VAL48C
• A-D: ARG287A, ARG287D, ASN64A, ASN64D, GLU59A, GLU59D, GLY284A, GLY284D, GLY67A, GLY67D, GLY69A, GLY69D, HIS61A, HIS61D, PHE283A, PHE283D, PHE62A, PHE62D, SER281A, SER281D, SER288A, SER288D, SER60A, SER65A, SER65D, SER66A, SER66D, THR63A, THR63D, TYR70D, VAL285A, VAL285D
• B-C: ARG287B, ARG287C, ASN64B, ASN64C, GLU59B, GLU59C, GLY284B, GLY284C, GLY67B, GLY67C, GLY69B, GLY69C, HIS61B, PHE283B, PHE283C, PHE62B, PHE62C, SER281B, SER281C, SER288B, SER288C, SER60B, SER65B, SER65C, SER66B, SER66C, THR282C, THR63B, THR63C, TYR70C, VAL285B, VAL285C
• B-D: ALA250B, ALA250D, ALA296B, ALA296D, ALA354B, ALA354D, ALA379D, ALA413B, ALA413D, ALA51B, ALA51D, ARG287B, ARG287D, ARG41B, ARG41D, ARG56B, ARG56D, ARG7B, ARG7D, ASN11B, ASN44B, ASN44D, ASN84D, ASP358B, ASP358D, ASP38B, ASP38D, ASP411B, ASP411D, GLN352B, GLN352D, GLN362D, GLN384B, GLN384D, GLN45B, GLN45D, GLN53B, GLN53D, GLU225B, GLU225D, GLU226B, GLU226D, GLU291B, GLU291D, GLU302B, GLU302D, GLU31B, GLU31D, GLU389B, GLU389D, GLU39B, GLU39D, GLU3B, GLU3D, GLU42B, GLU42D, GLU54B, GLU54D, GLU55B, GLU55D, GLU59B, GLU59D, GLY0B, GLY0D, GLY247B, GLY247D, GLY248B, GLY248D, GLY292B, GLY292D, GLY350B, GLY350D, GLY380B, GLY380D, GLY385D, GLY407B, GLY407D, GLY416B, GLY416D, HIS298B, HIS298D, HIS412B, HIS412D, HIS61B, HIS61D, ILE15B, ILE15D, ILE249B, ILE249D, ILE301B, ILE301D, ILE351B, ILE351D, ILE388B, ILE388D, ILE40B, ILE40D, ILE419B, ILE419D, ILE57B, ILE57D, LEU27B, LEU27D, LEU289B, LEU289D, LEU293B, LEU293D, LEU2B, LEU2D, LEU390B, LEU390D, LEU408B, LEU408D, LEU415B, LEU415D, LEU418B, LEU418D, LEU46B, LEU46D, LEU49B, LEU49D, LEU78B, LEU78D, LEU9B, LEU9D, LYS12B, LYS12D, LYS227B, LYS305B, LYS305D, LYS35B, LYS35D, LYS414B, LYS414D, LYS47B, LYS47D, LYS50B, LYS50D, LYS6B, LYS6D, PHE294B, PHE294D, PHE34B, PHE34D, PHE360B, PHE360D, PHE382B, PHE382D, PHE410B, PHE410D, PHE4B, PHE4D, PHE52B, PHE52D, PHE62B, PHE62D, PRO297B, PRO297D, PRO356B, PRO356D, SER288B, SER288D, SER355B, SER355D, SER359B, SER359D, SER58B, SER58D, SER60B, SER60D, SER8B, SER8D, THR251B, THR251D, THR353B, THR353D, THR381B, THR381D, THR409B, THR409D, THR5B, THR5D, TYR13B, TYR13D, TYR23B, TYR23D, TYR290B, TYR290D, TYR36B, TYR36D, TYR37B, TYR37D, TYR43B, TYR43D, VAL299B, VAL299D, VAL357B, VAL357D, VAL361B, VAL361D, VAL383B, VAL383D, VAL48B, VAL48D
• C-D: ALA103C, ALA103D, ALA106C, ALA106D, ALA107C, ALA107D, ALA250C, ALA250D, ALA266C, ALA266D, ALA379C, ALA379D, ALA386C, ALA386D, ARG113C, ARG113D, ARG145C, ARG145D, ARG269C, ARG269D, ARG75C, ARG75D, ARG94C, ARG94D, ASN111C, ASN111D, ASN115C, ASN115D, ASN64C, ASN64D, ASN71C, ASN71D, ASN99C, ASN99D, ASP116C, ASP116D, ASP127C, ASP127D, ASP131C, ASP131D, ASP72C, ASP72D, CYS219C, CYS219D, CYS279C, CYS279D, GLN265C, GLN265D, GLN384C, GLN384D, GLU146C, GLU146D, GLU261C, GLU261D, GLU278C, GLU278D, GLU389C, GLU389D, GLY100C, GLY100D, GLY105C, GLY105D, GLY110C, GLY110D, GLY134C, GLY134D, GLY142C, GLY142D, GLY148C, GLY148D, GLY253C, GLY253D, GLY274C, GLY274D, GLY276C, GLY276D, GLY277C, GLY277D, GLY280C, GLY280D, GLY284C, GLY284D, GLY385C, GLY385D, GLY67C, GLY67D, GLY69C, GLY69D, HIS102C, HIS102D, HIS130C, HIS130D, HIS96C, HIS96D, ILE104C, ILE104D, ILE132C, ILE132D, ILE133C, ILE133D, ILE213C, ILE213D, ILE242C, ILE242D, ILE275C, ILE275D, LEU108C, LEU108D, LEU112C, LEU112D, LEU129C, LEU129D, LEU144C, LEU144D, LEU241C, LEU241D, LEU289C, LEU289D, LYS139C, LYS139D, LYS140C, LYS140D, LYS177C, LYS177D, LYS243C, LYS243D, PHE109C, PHE109D, PHE268C, PHE268D, PHE283C, PHE283D, PHE382C, PHE382D, PHE92C, PHE92D, PHE97C, PHE97D, PRO114C, PRO114D, PRO273C, PRO273D, PRO95C, PRO95D, SER143C, SER143D, SER240C, SER240D, SER281C, SER281D, SER387C, SER387D, SER65C, SER65D, SER66C, SER66D, THR101C, THR101D, THR128C, THR128D, THR251C, THR251D, THR252C, THR252D, THR264C, THR264D, THR267C, THR267D, THR271C, THR271D, THR282C, THR282D, THR381C, THR381D, TYR147C, TYR147D, TYR220C, TYR220D, TYR262C, TYR262D, TYR68C, TYR68D, TYR70C, TYR70D, VAL141C, VAL141D, VAL149C, VAL149D, VAL270C, VAL270D, VAL272C, VAL272D, VAL285C, VAL285D, VAL383C, VAL383D, VAL98C, VAL98D