2EIV

crystal structure of the arginase from thermus thermophilus

• Total interactions analyzed: 66
• Total true interactions: 15
• Strongest Interaction:
  • Chains: D-J
  • Int. Res.: 70
  • Norm. En. per Res.: -3.8922
• 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-D	-43.4818	-15.8213	-85.1903	-144.4934	83	51	0	6070	4	30	40
A-E	-26.1545	-20.0919	-162.881	-209.1274	77	10	4	6345	9	26	30
A-H	-35.4338	-53.8267	-166.407	-255.6675	71	14	4	6591	2	14	16
C-H	-13.8458	35.6384	-9.2906	12.502	38	20	0	2458	0	15	14
C-I	-39.5443	-18.6812	-157.147	-215.3725	75	11	4	6418	9	27	31
C-K	-32.0012	-28.1466	-139.114	-199.2618	68	24	4	6512	0	14	15
D-J	-58.0388	-41.0267	-173.388	-272.4535	70	17	4	6643	2	13	15
D-K	0.0	-3.3548	-5.7018	-9.0566	10	0	0	374	0	6	6
E-F	-59.2392	-32.4542	-167.818	-259.5114	70	14	4	6602	1	14	15
F-G	-12.7813	-37.7096	-93.8664	-144.3574	65	7	0	4869	3	24	29
F-H	-32.4346	-24.0046	-159.351	-215.7902	77	10	5	6329	8	26	31
G-L	-40.8798	-48.6692	-160.308	-249.857	69	10	4	6405	2	13	15
H-K	0.0	0.0	-0.0003	-0.0003	2	0	0	1	0	1	2
I-M	-34.6748	-36.8114	-157.072	-228.5582	67	13	4	6548	1	15	15
K-M	-21.3866	-37.5341	-150.826	-209.7467	77	21	3	6154	8	26	32

Interface residues

• A-D: ALA105A, ALA105D, ALA107A, ALA107D, ALA108A, ALA108D, ALA157A, ALA157D, ALA82A, ALA82D, ALA83A, ALA83D, ARG109A, ARG109D, ARG111A, ARG111D, ARG112A, ARG112D, ARG150A, ARG150D, ARG156A, ARG156D, ARG71A, ARG71D, ARG80A, ARG80D, ASP159A, ASP159D, GLU153A, GLU153D, GLU79A, GLU79D, GLU86A, GLU86D, GLY106A, GLY106D, GLY110A, GLY110D, GLY145A, GLY145D, GLY87A, GLY87D, HIS148A, HIS148D, LEU151A, LEU151D, LEU211A, LEU211D, LEU75A, LEU75D, LEU77A, LEU77D, LEU81A, LEU81D, LEU84A, LEU84D, LYS161A, LYS161D, LYS78A, LYS78D, PHE155A, PHE155D, PRO149A, PRO149D, PRO160A, PRO160D, PRO212D, PRO85A, PRO85D, SER144A, SER144D, THR152A, THR152D, VAL113D, VAL142A, VAL154A, VAL154D, VAL158A, VAL158D, VAL76A, VAL76D, VAL88A, VAL88D
• A-E: ALA120A, ALA122A, ALA198E, ALA201E, ALA243A, ALA243E, ARG169A, ARG177A, ARG185A, ARG194A, ARG199E, ARG241E, ARG289E, ASP172A, ASP193A, ASP223A, GLU175A, GLU181A, GLU191A, GLU202E, GLU242A, GLU242E, GLU248E, GLU252E, GLY167A, GLY183A, GLY196A, GLY196E, GLY236A, GLY237A, HIS121A, HIS190A, HIS244E, ILE200A, ILE249E, ILE290E, LEU165A, LEU171A, LEU178A, LEU179A, LEU195A, LEU205E, LEU222A, LEU226A, LEU226E, LEU238A, LEU245E, LEU246E, LEU250E, LYS176A, LYS180A, LYS288E, MET189A, MET247E, MET277E, PHE291E, PRO173A, PRO235A, SER170A, SER253E, SER284E, THR188A, THR225A, THR225E, THR239A, THR239E, TYR187A, TYR240A, TYR240E, VAL168A, VAL184A, VAL186A, VAL192A, VAL197A, VAL197E, VAL221A, VAL234A
• A-H: ALA227A, ALA227H, ALA26A, ALA26H, ALA275A, ALA275H, ALA30A, ALA30H, ARG271A, ARG271H, ARG273A, ARG273H, ARG28A, ARG28H, ARG31A, ASN265A, ASN265H, ASN272A, ASN272H, ASP12A, ASP12H, ASP21A, ASP21H, ASP269A, ASP269H, GLU270A, GLU270H, GLU276A, GLU276H, GLY19A, GLY19H, GLY229A, GLY229H, GLY23A, GLY23H, ILE267A, ILE267H, LEU13A, LEU13H, LEU226H, LEU268A, LEU268H, LEU27A, LEU27H, MET11H, MET22A, MET22H, PRO10H, PRO224A, PRO224H, PRO228A, PRO228H, PRO233A, PRO233H, PRO24A, PRO24H, PRO266A, PRO266H, SER25A, SER25H, THR225A, THR225H, THR274H, TYR29A, TYR29H, VAL20A, VAL20H, VAL230A, VAL230H, VAL264A, VAL264H
• C-H: ALA108H, ALA72C, ALA73C, ALA74C, ALA82C, ALA82H, ALA83C, ALA83H, ARG109C, ARG109H, ARG111H, ARG112H, ARG150C, ARG3H, ARG71C, ARG80C, ARG80H, ASP48C, GLU68C, GLU79C, GLU79H, GLU86C, GLU86H, GLY110H, GLY87H, LEU46C, LEU75C, LEU77C, LEU81C, LEU84C, LEU84H, LYS78C, PRO50C, PRO85C, PRO85H, VAL49C, VAL76C, VAL88C
• C-I: ALA120I, ALA182I, ALA198C, ALA201C, ALA243I, ARG169I, ARG177I, ARG185I, ARG194I, ARG199C, ARG241C, ARG289C, ASP172I, ASP193I, ASP223I, GLU175I, GLU181I, GLU191I, GLU202C, GLU242C, GLU242I, GLU248C, GLU252C, GLY167I, GLY174I, GLY183I, GLY196C, GLY196I, GLY236I, GLY237I, HIS121I, HIS190I, HIS244C, ILE249C, ILE290C, LEU165I, LEU171I, LEU178I, LEU179I, LEU195I, LEU205C, LEU222I, LEU226C, LEU238I, LEU245C, LEU246C, LEU250C, LYS176I, LYS180I, LYS288C, MET189I, MET247C, MET277C, PHE291C, PRO173I, PRO224I, PRO235I, SER170I, SER284C, THR188I, THR225C, THR225I, THR239C, THR239I, TYR187I, TYR240C, TYR240I, VAL168I, VAL184I, VAL186I, VAL192I, VAL197C, VAL197I, VAL221I, VAL234I
• C-K: ALA227C, ALA227K, ALA26C, ALA26K, ALA275C, ALA275K, ALA30C, ALA30K, ARG271C, ARG271K, ARG273C, ARG273K, ARG28C, ARG28K, ARG31C, ARG31K, ASN265C, ASN265K, ASN272C, ASN272K, ASP12C, ASP12K, ASP21C, ASP21K, ASP269C, ASP269K, GLU270C, GLU270K, GLU276C, GLU276K, GLY19C, GLY19K, GLY229C, GLY229K, GLY231K, GLY23C, GLY23K, ILE267C, ILE267K, LEU268C, LEU268K, LEU27C, LEU27K, MET22C, MET22K, PRO224C, PRO224K, PRO228C, PRO228K, PRO233C, PRO233K, PRO24C, PRO24K, PRO266C, PRO266K, SER25C, SER25K, THR225C, THR225K, THR274K, TYR29C, TYR29K, VAL20C, VAL20K, VAL230C, VAL230K, VAL264C, VAL264K
• D-J: ALA227D, ALA227J, ALA26D, ALA26J, ALA275D, ALA275J, ALA30D, ALA30J, ARG271D, ARG271J, ARG273D, ARG273J, ARG28D, ARG28J, ARG31D, ARG31J, ASN265D, ASN265J, ASN272D, ASN272J, ASP12D, ASP12J, ASP21D, ASP21J, ASP269D, ASP269J, GLU270D, GLU270J, GLU276D, GLU276J, GLY19D, GLY19J, GLY229D, GLY229J, GLY23D, GLY23J, ILE267D, ILE267J, LEU268D, LEU268J, LEU27D, LEU27J, MET11J, MET22D, MET22J, PRO10D, PRO10J, PRO224D, PRO224J, PRO228D, PRO228J, PRO233D, PRO233J, PRO24D, PRO24J, PRO266D, PRO266J, SER25D, SER25J, THR225D, THR225J, THR274J, TYR29D, TYR29J, VAL20D, VAL20J, VAL230D, VAL230J, VAL264D, VAL264J
• D-K: ARG111K, ARG3K, GLN209D, GLU252D, GLU2K, GLU86K, GLY87K, LYS206D, PRO85K, VAL88K
• E-F: ALA227E, ALA227F, ALA26E, ALA26F, ALA275E, ALA275F, ALA30E, ALA30F, ARG271E, ARG271F, ARG273E, ARG273F, ARG28E, ARG28F, ASN265E, ASN265F, ASN272E, ASN272F, ASP12E, ASP12F, ASP21E, ASP21F, ASP269E, ASP269F, GLU270E, GLU270F, GLU276E, GLU276F, GLY19E, GLY19F, GLY229E, GLY229F, GLY23E, GLY23F, ILE267E, ILE267F, LEU268E, LEU268F, LEU27E, LEU27F, MET11E, MET11F, MET22E, MET22F, PRO10E, PRO10F, PRO224E, PRO224F, PRO228E, PRO228F, PRO233E, PRO233F, PRO24E, PRO24F, PRO266E, PRO266F, SER25E, SER25F, THR225E, THR225F, THR274E, THR274F, TYR29E, TYR29F, VAL20E, VAL20F, VAL230E, VAL230F, VAL264E, VAL264F
• F-G: ALA105F, ALA107F, ALA108F, ALA157F, ALA198G, ALA201G, ALA251G, ALA82F, ALA83F, ARG109F, ARG111F, ARG111G, ARG112F, ARG112G, ARG156F, ARG199G, ARG255G, ARG289G, ASP159F, ASP162F, GLN209F, GLN209G, GLU153F, GLU202G, GLU203G, GLU248G, GLU252G, GLU79F, GLU86F, GLY106F, GLY110F, GLY145F, GLY210F, GLY210G, GLY254G, HIS207G, ILE249G, LEU143F, LEU146F, LEU205G, LEU208G, LEU211F, LEU211G, LEU213G, LEU245G, LEU246G, LEU250G, LEU75F, LEU81F, LYS206G, LYS78F, MET247G, PHE155F, PRO149F, PRO212F, PRO212G, PRO85F, SER253G, THR152F, VAL104F, VAL113F, VAL113G, VAL154F, VAL158F, VAL204G
• F-H: ALA120F, ALA198H, ALA201H, ALA243F, ALA243H, ALA251H, ARG169F, ARG177F, ARG185F, ARG194F, ARG199H, ARG241H, ARG273H, ARG289H, ASP172F, ASP193F, ASP223F, GLU175F, GLU181F, GLU191F, GLU202H, GLU242F, GLU242H, GLU248H, GLU252H, GLY167F, GLY183F, GLY196F, GLY196H, GLY236F, GLY237F, HIS121F, HIS190F, HIS244H, ILE200F, ILE249H, ILE290H, LEU165F, LEU171F, LEU178F, LEU179F, LEU195F, LEU205H, LEU222F, LEU226F, LEU226H, LEU238F, LEU245H, LEU246H, LEU250H, LYS176F, LYS180F, LYS288H, MET189F, MET247H, MET277H, PHE291H, PRO173F, PRO235F, SER170F, SER284H, THR188F, THR225F, THR225H, THR239F, THR239H, TYR187F, TYR240F, TYR240H, VAL168F, VAL184F, VAL186F, VAL192F, VAL197F, VAL197H, VAL221F, VAL234F
• G-L: ALA227G, ALA227L, ALA26G, ALA26L, ALA275G, ALA275L, ALA30G, ALA30L, ARG271G, ARG271L, ARG273G, ARG273L, ARG28G, ARG28L, ASN265G, ASN265L, ASN272G, ASN272L, ASP12G, ASP12L, ASP21G, ASP21L, ASP269G, ASP269L, GLU270G, GLU270L, GLU276G, GLU276L, GLY19G, GLY19L, GLY229G, GLY229L, GLY23G, GLY23L, ILE267G, ILE267L, LEU13G, LEU268G, LEU268L, LEU27G, LEU27L, MET11L, MET22G, MET22L, PRO10L, PRO224G, PRO224L, PRO228G, PRO228L, PRO233G, PRO233L, PRO24G, PRO24L, PRO266G, PRO266L, SER25G, SER25L, THR225G, THR225L, THR274G, THR274L, TYR29G, TYR29L, VAL20G, VAL20L, VAL230G, VAL230L, VAL264G, VAL264L
• H-K: LEU75H, SER52K
• I-M: ALA227I, ALA227M, ALA26I, ALA26M, ALA275I, ALA275M, ALA30I, ALA30M, ARG271I, ARG271M, ARG273I, ARG273M, ARG28I, ARG28M, ARG31M, ASN265I, ASN265M, ASN272I, ASN272M, ASP12I, ASP12M, ASP21I, ASP21M, ASP269I, ASP269M, GLU270I, GLU270M, GLU276I, GLU276M, GLY19I, GLY19M, GLY229I, GLY229M, GLY23I, GLY23M, ILE267I, ILE267M, LEU13M, LEU268I, LEU268M, LEU27I, LEU27M, MET22I, MET22M, PRO224I, PRO224M, PRO228I, PRO228M, PRO233I, PRO233M, PRO24I, PRO24M, PRO266I, PRO266M, SER25I, SER25M, THR225I, THR225M, THR274I, THR274M, TYR29I, TYR29M, VAL20I, VAL20M, VAL230I, VAL230M, VAL264M
• K-M: ALA120K, ALA198M, ALA201M, ALA243K, ALA251M, ARG169K, ARG177K, ARG185K, ARG194K, ARG199M, ARG241M, ARG273M, ARG289M, ASP172K, ASP193K, ASP223K, GLU175K, GLU181K, GLU191K, GLU202M, GLU242K, GLU242M, GLU248M, GLU252M, GLY167K, GLY174K, GLY196K, GLY196M, GLY236K, GLY237K, HIS121K, HIS190K, HIS244M, ILE200K, ILE200M, ILE249M, ILE290M, LEU165K, LEU171K, LEU178K, LEU179K, LEU195K, LEU222K, LEU226K, LEU226M, LEU238K, LEU245M, LEU246M, LEU250M, LYS176K, LYS180K, LYS288M, MET189K, MET247M, MET277M, PHE291M, PRO173K, PRO224K, PRO235K, SER170K, SER284M, THR188K, THR225K, THR225M, THR239K, THR239M, TYR187K, TYR240K, TYR240M, VAL168K, VAL184K, VAL186K, VAL192K, VAL197K, VAL197M, VAL221K, VAL234K