2RD9

crystal structure of a putative yfit-like metal-dependent hydrolase (bh0186) from bacillus halodurans c-125 at 2.30 a resolution

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 47
  • Norm. En. per Res.: -6.3163
• 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	-130.7147	-87.9823	-869.114	-1087.811	213	26	29	32461	4	53	58
A-C	-39.9933	-52.4502	-204.421	-296.8645	47	5	4	5257	4	18	9
A-D	-134.3676	2.6665	-456.27	-587.9711	134	24	6	13655	13	68	85
B-C	-102.1759	-18.0378	-380.603	-500.8167	124	19	5	11416	15	67	77
B-D	-40.2346	-51.9566	-196.476	-288.6672	48	4	4	5068	4	20	7
C-D	-120.6397	-96.017	-846.196	-1062.8527	211	26	29	31887	4	54	57

Interface residues

• A-B: ALA123A, ALA123B, ALA126A, ALA126B, ALA138A, ALA138B, ALA148A, ALA148B, ALA155A, ALA155B, ALA8A, ALA8B, ARG133A, ARG133B, ARG14A, ARG14B, ARG152A, ARG152B, ARG157A, ARG157B, ARG60A, ARG60B, ASN173A, ASN173B, ASN2A, ASN2B, ASN34A, ASN34B, ASN56A, ASN56B, ASN6A, ASN6B, ASP143A, ASP143B, ASP159A, ASP159B, ASP161A, ASP161B, ASP174A, ASP174B, ASP28A, ASP28B, CYS33A, CYS33B, GLN-1A, GLN-1B, GLN10A, GLN10B, GLN149A, GLN149B, GLN4A, GLN4B, GLU134A, GLU134B, GLU13A, GLU13B, GLU167A, GLU167B, GLU20A, GLU20B, GLU24A, GLU24B, GLU35A, GLU35B, GLU38A, GLU38B, GLU44A, GLU44B, GLU7A, GLU7B, GLY0A, GLY0B, GLY122A, GLY122B, GLY128A, GLY128B, GLY163A, GLY163B, GLY170A, GLY170B, GLY25A, GLY25B, GLY36A, GLY36B, HIS-7A, HIS-7B, HIS-8A, HIS-8B, HIS124A, HIS124B, HIS142A, HIS142B, HIS146A, HIS146B, HIS31A, HIS31B, HIS48A, HIS48B, ILE147A, ILE147B, ILE150A, ILE150B, ILE171A, ILE171B, ILE64A, ILE64B, ILE9A, ILE9B, LEU-4A, LEU-4B, LEU11A, LEU11B, LEU12A, LEU12B, LEU135A, LEU135B, LEU136A, LEU136B, LEU144A, LEU144B, LEU169A, LEU169B, LEU172A, LEU172B, LEU19A, LEU19B, LEU23A, LEU23B, LEU26A, LEU26B, LYS131A, LYS131B, LYS156A, LYS156B, LYS166A, LYS166B, LYS17A, LYS17B, PHE-2A, PHE-2B, PHE127A, PHE127B, PHE22A, PHE22B, PHE3A, PHE3B, PHE73A, PHE73B, PHE76A, PHE76B, PRO125A, PRO125B, PRO164A, PRO164B, PRO16A, PRO16B, SER137A, SER137B, SER153A, SER153B, SER27A, SER27B, SER29A, SER29B, THR145A, THR145B, THR15A, THR15B, THR160A, THR160B, THR18A, THR18B, THR39A, THR39B, THR41A, THR41B, TRP139A, TRP139B, TRP165A, TRP165B, TRP30A, TRP30B, TRP40A, TRP40B, TRP57A, TRP57B, TYR-3A, TYR-3B, TYR158A, TYR158B, TYR168A, TYR168B, TYR37A, TYR37B, VAL129A, VAL129B, VAL130A, VAL130B, VAL132A, VAL132B, VAL140A, VAL140B, VAL141A, VAL141B, VAL151A, VAL151B, VAL162A, VAL162B, VAL21A, VAL21B, VAL42B, VAL45A, VAL45B
• A-C: ASN-5A, ASN-5C, ASN173A, ASN173C, ASP174A, ASP174C, GLN-1A, GLN-1C, GLU-6A, GLU-6C, GLU167A, GLU167C, GLY163A, GLY163C, GLY170A, GLY170C, HIS-10A, HIS-10C, HIS-11A, HIS-11C, HIS-12A, HIS-7A, HIS-7C, HIS-8A, HIS-8C, HIS-9A, HIS-9C, ILE171A, ILE171C, LEU-4A, LEU-4C, LEU169A, LEU169C, LEU172A, LEU172C, LYS166A, LYS166C, PHE-2A, PHE-2C, PRO164A, PRO164C, TRP165A, TRP165C, TYR-3A, TYR-3C, TYR168A, TYR168C
• A-D: ALA126A, ALA126D, ALA138A, ALA138D, ALA52A, ALA52D, ALA75A, ALA75D, ARG60A, ARG60D, ARG78A, ARG78D, ARG93D, ASN-5A, ASN-5D, ASN56A, ASN56D, ASN83A, ASN83D, ASP159A, ASP159D, ASP174A, ASP174D, ASP77A, ASP77D, CB5.047384.41817, GLN-1A, GLN-1D, GLN84A, GLN84D, GLU-6A, GLU-6D, GLU167A, GLU167D, GLU35A, GLU35D, GLU38A, GLU38D, GLU51A, GLU51D, GLU53A, GLU53D, GLY128A, GLY128D, GLY36A, GLY36D, HIS-10A, HIS-10D, HIS-11A, HIS-11D, HIS-12A, HIS-12D, HIS-7A, HIS-7D, HIS-8A, HIS-8D, HIS-9A, HIS-9D, HIS124A, HIS124D, HIS142A, HIS142D, HIS146A, HIS146D, HIS48A, HIS48D, HIS81A, HIS81D, ILE-13A, ILE-13D, ILE171A, ILE171D, ILE50A, ILE50D, LEU-4A, LEU-4D, LEU135A, LEU135D, LEU49A, LEU49D, LEU82A, LEU82D, LYS-14A, LYS-14A5, LYS-14D, LYS156A, LYS156D, LYS166A, LYS166D, LYS54A, LYS54D, PHE-2A, PHE-2D, PHE127A, PHE127D, PHE73A, PHE73D, PHE76A, PHE76D, PHE79A, PHE79D, PRO125A, PRO125D, PRO72A, PRO72D, PRO74A, PRO74D, SER80A, SER80D, THR145A, THR145D, THR160D, THR39A, THR39D, THR55A, THR55D, TRP139A, TRP139D, TRP40A, TRP40D, TRP57A, TRP57D, TYR-3A, TYR-3D, TYR168A, TYR168D, TYR37A, TYR37D, VAL129A, VAL129D, VAL130A, VAL130D, VAL47A, VAL47D
• B-C: ALA126B, ALA126C, ALA138B, ALA138C, ALA52B, ALA52C, ALA75B, ALA75C, ARG60B, ARG60C, ARG78B, ARG78C, ASN-5B, ASN-5C, ASN56B, ASN56C, ASN83C, ASP-15B, ASP159B, ASP159C, ASP174B, ASP174C, ASP77B, ASP77C, GLN-1B, GLN-1C, GLN84C, GLU-6B, GLU-6C, GLU167B, GLU167C, GLU35B, GLU35C, GLU38B, GLU38C, GLU51B, GLU51C, GLU53B, GLU53C, GLY128B, GLY128C, GLY36B, GLY36C, HIS-10B, HIS-10C, HIS-11B, HIS-11C, HIS-12B, HIS-7B, HIS-7C, HIS-8B, HIS-8C, HIS-9B, HIS-9C, HIS124B, HIS124C, HIS142B, HIS142C, HIS146B, HIS146C, HIS48B, HIS48C, HIS81C, ILE-13B, ILE171B, ILE171C, ILE50B, ILE50C, LEU-4B, LEU-4C, LEU135B, LEU135C, LEU49B, LEU49C, LEU82C, LYS-14B, LYS156B, LYS156C, LYS166B, LYS166C, LYS54B, LYS54C, PHE-2B, PHE-2C, PHE127B, PHE127C, PHE73B, PHE73C, PHE76B, PHE76C, PHE79C, PRO125B, PRO125C, PRO72B, PRO72C, PRO74B, PRO74C, SER80C, THR145B, THR145C, THR160B, THR160C, THR39B, THR39C, THR55B, THR55C, TRP139B, TRP139C, TRP40B, TRP40C, TRP57B, TRP57C, TYR-3B, TYR-3C, TYR168B, TYR168C, TYR37B, TYR37C, VAL129B, VAL129C, VAL130B, VAL130C, VAL47B, VAL47C
• B-D: ASN-5B, ASN-5D, ASN173B, ASN173D, ASP174B, ASP174D, GLN-1B, GLN-1D, GLU-6B, GLU-6D, GLU167B, GLU167D, GLY163B, GLY163D, GLY170B, GLY170D, HIS-10B, HIS-10D, HIS-11B, HIS-11D, HIS-12B, HIS-12D, HIS-7B, HIS-7D, HIS-8B, HIS-8D, HIS-9B, HIS-9D, ILE171B, ILE171D, LEU-4B, LEU-4D, LEU169B, LEU169D, LEU172B, LEU172D, LYS166B, LYS166D, PHE-2B, PHE-2D, PRO164B, PRO164D, TRP165B, TRP165D, TYR-3B, TYR-3D, TYR168B, TYR168D
• C-D: ALA123C, ALA126C, ALA126D, ALA138C, ALA138D, ALA148C, ALA148D, ALA155C, ALA155D, ALA8C, ALA8D, ARG133C, ARG133D, ARG14C, ARG14D, ARG152C, ARG152D, ARG157C, ARG157D, ARG60C, ARG60D, ASN173C, ASN173D, ASN2C, ASN2D, ASN34C, ASN34D, ASN56C, ASN56D, ASN6C, ASN6D, ASP143C, ASP143D, ASP159C, ASP159D, ASP161C, ASP161D, ASP174C, ASP174D, ASP28C, ASP28D, CYS33C, CYS33D, GLN-1C, GLN-1D, GLN10C, GLN10D, GLN149C, GLN149D, GLN4C, GLN4D, GLU134C, GLU134D, GLU13C, GLU13D, GLU167C, GLU167D, GLU20C, GLU20D, GLU24C, GLU24D, GLU35C, GLU35D, GLU38C, GLU38D, GLU44C, GLU44D, GLU7C, GLU7D, GLY0C, GLY0D, GLY122C, GLY122D, GLY128C, GLY128D, GLY163C, GLY163D, GLY170C, GLY170D, GLY25C, GLY25D, GLY36C, GLY36D, HIS-7C, HIS-7D, HIS-8C, HIS-8D, HIS124C, HIS124D, HIS142C, HIS142D, HIS146C, HIS146D, HIS31C, HIS31D, HIS48C, HIS48D, ILE147C, ILE147D, ILE150C, ILE150D, ILE171C, ILE171D, ILE64C, ILE64D, ILE9C, ILE9D, LEU-4C, LEU-4D, LEU11C, LEU11D, LEU12C, LEU12D, LEU135C, LEU135D, LEU136C, LEU136D, LEU144C, LEU144D, LEU169C, LEU169D, LEU172C, LEU172D, LEU19C, LEU19D, LEU23C, LEU23D, LEU26C, LEU26D, LYS131C, LYS131D, LYS156C, LYS156D, LYS166C, LYS166D, LYS17C, LYS17D, PHE-2C, PHE-2D, PHE127C, PHE127D, PHE22C, PHE22D, PHE3C, PHE3D, PHE73C, PHE73D, PHE76C, PHE76D, PRO125C, PRO125D, PRO164C, PRO164D, PRO16C, SER137C, SER137D, SER153C, SER153D, SER27C, SER27D, SER29C, SER29D, THR145C, THR145D, THR15C, THR15D, THR160C, THR160D, THR18C, THR18D, THR39C, THR39D, THR41C, THR41D, TRP139C, TRP139D, TRP165C, TRP165D, TRP30C, TRP30D, TRP40C, TRP40D, TRP57C, TRP57D, TYR-3C, TYR-3D, TYR158C, TYR158D, TYR168C, TYR168D, TYR37C, TYR37D, VAL129C, VAL129D, VAL130C, VAL130D, VAL132C, VAL132D, VAL140C, VAL140D, VAL141C, VAL141D, VAL151C, VAL151D, VAL162C, VAL162D, VAL21C, VAL21D, VAL42D, VAL45C, VAL45D