2YF3

crystal structure of dr2231, the mazg-like protein from deinococcus radiodurans, complex with manganese

• Total interactions analyzed: 15
• Total true interactions: 12
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 235
  • Norm. En. per Res.: -4.1218
• Hub Node: A(5)

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	-70.7089	-111.3274	-786.595	-968.6313	235	15	59	34529	4	65	68
A-C	0.0	7.0686	-17.5005	-10.4319	19	0	0	1005	0	7	8
A-D	-17.8146	14.3146	-65.3393	-68.8393	34	1	2	2811	0	17	14
A-E	0.0	0.0	-2.2056	-2.2056	12	0	0	172	0	1	5
A-F	0.0	4.7017	-35.7982	-31.0965	31	0	0	1624	0	10	10
B-C	-6.9839	12.2403	-75.8642	-70.6078	38	0	2	3263	0	17	16
B-F	0.0	1.2332	-8.2452	-7.012	15	0	0	398	0	3	5
C-D	-71.777	-95.1559	-189.957	-356.8899	234	19	61	33789	4	65	68
C-E	0.0	15.654	-77.1129	-61.4589	41	2	1	3751	0	14	14
D-E	-2.4461	-2.4098	-64.2451	-69.101	37	0	3	2249	0	9	3
D-F	0.0	0.0	-18.5382	-18.5382	18	0	0	728	0	5	1
E-F	-63.7934	-85.6221	-768.441	-917.8565	232	19	60	33756	4	65	69

Interface residues

• A-B: ALA100A, ALA100B, ALA103A, ALA103B, ALA108A, ALA108B, ALA113A, ALA113B, ALA11A, ALA11B, ALA132A, ALA132B, ALA20A, ALA20B, ALA23A, ALA23B, ALA49A, ALA49B, ALA53A, ALA53B, ALA60A, ALA60B, ALA63A, ALA63B, ALA67A, ALA67B, ALA70A, ALA70B, ALA74A, ALA74B, ALA77A, ALA77B, ALA81A, ALA81B, ALA90A, ALA90B, ALA98A, ALA98B, ARG107A, ARG107B, ARG117A, ARG117B, ARG135A, ARG135B, ARG13A, ARG13B, ARG19A, ARG19B, ARG28A, ARG28B, ARG38A, ARG38B, ARG40A, ARG40B, ARG52A, ARG52B, ARG61A, ARG61B, ASN109A, ASN109B, ASN10A, ASN10B, ASP133A, ASP133B, ASP45A, ASP45B, ASP56A, ASP56B, ASP72A, ASP72B, ASP82A, ASP82B, ASP92A, ASP92B, ASP97A, ASP97B, ASP99A, ASP99B, CYS6A, CYS6B, GLN123A, GLN123B, GLN142A, GLN142B, GLN41A, GLN41B, GLN62A, GLN62B, GLN93A, GLN93B, GLU104A, GLU104B, GLU12A, GLU12B, GLU139A, GLU139B, GLU16A, GLU16B, GLU35A, GLU35B, GLU46A, GLU46B, GLU47A, GLU47B, GLU54A, GLU54B, GLU66A, GLU66B, GLU79A, GLU79B, GLY115A, GLY115B, GLY136A, GLY136B, GLY22A, GLY22B, GLY71A, GLY71B, GLY89A, GLY89B, GLY95A, GLY95B, HIS106A, HIS106B, HIS15A, HIS15B, HIS18A, HIS18B, HIS57A, HIS57B, HIS78A, HIS78B, ILE138A, ILE138B, ILE21A, ILE21B, ILE55A, ILE55B, ILE96A, ILE96B, LEU110A, LEU110B, LEU141A, LEU141B, LEU14A, LEU14B, LEU36A, LEU36B, LEU37A, LEU37B, LEU39A, LEU39B, LEU43A, LEU44A, LEU44B, LEU58A, LEU58B, LEU59A, LEU59B, LEU68A, LEU68B, LEU73A, LEU73B, LEU76A, LEU76B, LEU80A, LEU80B, LEU83A, LEU83B, LEU84A, LEU84B, LEU91A, LEU91B, LEU94A, LEU94B, LYS112A, LYS112B, PHE102A, PHE102B, PHE17A, PHE17B, PRO131A, PRO131B, PRO29A, PRO29B, PRO31A, PRO31B, PRO32A, PRO32B, PRO33A, PRO33B, PRO34A, PRO34B, PRO5A, PRO5B, PRO75A, PRO75B, PRO7A, PRO7B, PRO8A, PRO8B, SER111A, SER111B, SER114A, SER114B, SER48A, SER48B, SER69A, SER69B, THR30A, THR30B, THR42A, THR42B, THR87A, THR87B, THR9A, THR9B, TRP129A, TRP129B, TYR85A, TYR85B, TYR88A, TYR88B, VAL101A, VAL101B, VAL105A, VAL105B, VAL134A, VAL134B, VAL137A, VAL137B, VAL51A, VAL51B, VAL86A, VAL86B
• A-C: ARG130A, ARG130C, ARG135A, ARG135C, ASP133A, ASP133C, GLN142A, GLU127C, GLU139A, GLY128A, GLY128C, HIS143A, LYS125A, LYS125C, PRO131A, PRO131C, PRO31A, TRP129A, TRP129C
• A-D: ALA119A, ALA60D, ALA63D, ALA64D, ALA67D, ALA74D, ARG117A, ARG118A, ARG130A, ARG61D, ASP56D, ASP72D, GLN62D, GLU127A, GLU54D, GLU66D, GLY115A, GLY128A, GLY65D, GLY71D, HIS57D, LEU124A, LEU58D, LEU59D, LEU68D, LYS122A, LYS125A, PRO116A, PRO126A, PRO131A, PRO75D, SER114A, SER69D, TRP129A
• A-E: ALA119A, ALA20E, ALA23E, ARG117A, ARG118A, ARG19E, ASP120A, GLY22E, HIS18E, ILE21E, LEU124A, PRO116A
• A-F: ALA113A, ALA113F, ALA119A, ALA119F, ARG117A, ARG117F, ARG118A, ARG118F, GLN123A, GLN123F, GLU127A, GLU127F, GLY115A, GLY115F, GLY121A, GLY121F, GLY128A, LEU124A, LEU124F, LYS112A, LYS112F, LYS125A, LYS125F, PRO116A, PRO116F, PRO126A, PRO126F, SER111A, SER111F, SER114A, SER114F
• B-C: ALA119C, ALA53B, ALA60B, ALA63B, ALA64B, ALA67B, ALA70B, ALA74B, ARG117C, ARG118C, ARG130C, ARG61B, ASP56B, ASP72B, GLN123C, GLN62B, GLU127C, GLU54B, GLU66B, GLY115C, GLY128C, GLY65B, GLY71B, HIS57B, LEU124C, LEU58B, LEU59B, LEU68B, LEU73B, LYS112C, LYS122C, LYS125C, PRO116C, PRO126C, PRO131C, PRO75B, SER69B, TRP129C
• B-F: ALA119F, ALA20B, ALA23B, ALA24B, ARG117F, ARG118F, ARG19B, ASP120F, GLY121F, GLY22B, HIS18B, ILE21B, LEU124F, PRO116F, THR25B
• C-D: ALA100C, ALA100D, ALA103C, ALA103D, ALA108C, ALA108D, ALA113C, ALA113D, ALA11C, ALA11D, ALA132C, ALA132D, ALA20C, ALA20D, ALA23C, ALA23D, ALA49C, ALA49D, ALA53C, ALA53D, ALA60C, ALA60D, ALA63C, ALA63D, ALA67C, ALA67D, ALA70C, ALA70D, ALA74C, ALA74D, ALA77C, ALA77D, ALA81C, ALA81D, ALA90C, ALA90D, ALA98C, ALA98D, ARG107C, ARG107D, ARG117C, ARG117D, ARG135C, ARG135D, ARG13C, ARG13D, ARG19C, ARG19D, ARG28C, ARG28D, ARG38C, ARG38D, ARG40C, ARG40D, ARG52C, ARG52D, ARG61C, ARG61D, ASN109C, ASN109D, ASN10C, ASN10D, ASP133C, ASP133D, ASP45C, ASP45D, ASP56C, ASP56D, ASP72C, ASP72D, ASP82C, ASP82D, ASP92C, ASP92D, ASP97C, ASP97D, ASP99C, ASP99D, CYS6C, CYS6D, GLN123C, GLN123D, GLN142C, GLN142D, GLN41C, GLN41D, GLN62C, GLN62D, GLN93C, GLN93D, GLU104C, GLU104D, GLU12C, GLU12D, GLU139C, GLU139D, GLU16C, GLU16D, GLU35C, GLU35D, GLU47C, GLU47D, GLU54C, GLU54D, GLU66C, GLU66D, GLU79C, GLU79D, GLY115C, GLY115D, GLY136C, GLY136D, GLY22C, GLY22D, GLY71C, GLY71D, GLY89C, GLY89D, GLY95C, GLY95D, HIS106C, HIS106D, HIS15C, HIS15D, HIS18C, HIS18D, HIS57C, HIS57D, HIS78C, HIS78D, ILE138C, ILE138D, ILE21C, ILE21D, ILE55C, ILE55D, ILE96C, ILE96D, LEU110C, LEU110D, LEU141C, LEU141D, LEU14C, LEU14D, LEU36C, LEU36D, LEU37C, LEU37D, LEU39C, LEU39D, LEU43C, LEU44C, LEU44D, LEU4C, LEU4D, LEU58C, LEU58D, LEU59C, LEU59D, LEU68C, LEU68D, LEU73C, LEU73D, LEU76C, LEU76D, LEU80C, LEU80D, LEU83C, LEU83D, LEU84C, LEU84D, LEU91C, LEU91D, LEU94C, LEU94D, LYS112C, LYS112D, PHE102C, PHE102D, PHE17C, PHE17D, PRO131C, PRO131D, PRO29C, PRO29D, PRO31C, PRO31D, PRO32C, PRO32D, PRO33C, PRO33D, PRO34C, PRO34D, PRO5C, PRO5D, PRO75C, PRO75D, PRO7C, PRO7D, PRO8C, PRO8D, SER111C, SER111D, SER114C, SER114D, SER48C, SER48D, SER69C, SER69D, THR30C, THR30D, THR42C, THR42D, THR87C, THR87D, THR9C, THR9D, TRP129C, TYR85C, TYR85D, TYR88C, TYR88D, VAL101C, VAL101D, VAL105C, VAL105D, VAL134C, VAL134D, VAL137C, VAL137D, VAL51C, VAL51D, VAL86C, VAL86D
• C-E: ALA20C, ALA23C, ALA24C, ARG19E, ARG38C, ARG40C, ASP-3E, ASP147E, ASP148E, ASP3E, ASP82C, GLN41C, GLN93C, GLU16E, GLU35C, GLU46C, GLU47C, GLY22C, GLY89C, HIS15E, HIS18C, ILE-4E, ILE21C, LEU14C, LEU36C, LEU37C, LEU39C, LEU43C, LEU4E, MET1E, PHE-1E, PHE17C, PRO-2E, PRO32C, PRO33C, PRO34C, SER2E, THR0E, THR42C, TYR85C, VAL86C
• D-E: ALA108D, ALA113D, ALA20E, ALA60D, ALA63D, ALA64D, ARG117D, ARG19E, ARG61D, ASN109D, ASP-3E, GLN123D, GLN62D, GLU16E, GLU66D, GLY115D, GLY121D, GLY22E, GLY65D, HIS106D, HIS18E, ILE-4E, ILE21E, LEU110D, LEU124D, LEU59D, LYS112D, LYS122D, MET1E, PHE-1E, PHE17E, PRO-2E, SER111D, SER114D, THR0E, TRP129D, VAL105D
• D-F: ALA113F, ALA63D, ALA64D, ALA67D, ARG117F, ARG61D, ASN109F, GLN123F, GLN62D, GLU66D, GLY115F, GLY65D, HIS106F, LEU110F, LYS112F, PRO126F, SER111F, SER114F
• E-F: ALA100E, ALA100F, ALA103E, ALA103F, ALA108E, ALA108F, ALA113E, ALA113F, ALA11E, ALA11F, ALA132E, ALA132F, ALA20E, ALA20F, ALA23E, ALA23F, ALA49E, ALA49F, ALA53E, ALA53F, ALA60E, ALA60F, ALA63E, ALA63F, ALA67E, ALA67F, ALA70E, ALA70F, ALA74E, ALA74F, ALA77E, ALA77F, ALA81E, ALA81F, ALA90E, ALA90F, ALA98E, ALA98F, ARG107E, ARG107F, ARG117E, ARG117F, ARG135E, ARG135F, ARG13E, ARG13F, ARG19E, ARG19F, ARG28E, ARG28F, ARG38E, ARG38F, ARG40E, ARG40F, ARG52E, ARG52F, ARG61F, ASN109E, ASN109F, ASN10E, ASN10F, ASP133E, ASP133F, ASP45E, ASP45F, ASP56E, ASP56F, ASP72E, ASP72F, ASP82E, ASP82F, ASP92E, ASP92F, ASP97E, ASP97F, ASP99E, ASP99F, CYS6E, CYS6F, GLN123E, GLN123F, GLN142E, GLN142F, GLN41E, GLN41F, GLN62E, GLN62F, GLN93E, GLN93F, GLU104E, GLU104F, GLU12E, GLU12F, GLU139E, GLU139F, GLU16E, GLU16F, GLU35E, GLU35F, GLU47E, GLU47F, GLU54E, GLU54F, GLU66E, GLU66F, GLU79E, GLU79F, GLY115E, GLY115F, GLY136E, GLY136F, GLY22E, GLY22F, GLY71E, GLY71F, GLY89E, GLY89F, GLY95E, GLY95F, HIS106E, HIS106F, HIS15E, HIS15F, HIS18E, HIS18F, HIS57E, HIS57F, HIS78E, HIS78F, ILE138E, ILE138F, ILE21E, ILE21F, ILE55E, ILE55F, ILE96E, ILE96F, LEU110E, LEU110F, LEU141E, LEU141F, LEU14E, LEU14F, LEU36E, LEU36F, LEU37E, LEU37F, LEU39E, LEU39F, LEU43F, LEU44E, LEU44F, LEU58E, LEU58F, LEU59E, LEU59F, LEU68E, LEU68F, LEU73E, LEU73F, LEU76E, LEU76F, LEU80E, LEU80F, LEU83E, LEU83F, LEU84E, LEU84F, LEU91E, LEU91F, LEU94E, LEU94F, LYS112E, LYS112F, PHE102E, PHE102F, PHE17E, PHE17F, PRO131E, PRO131F, PRO29E, PRO29F, PRO31E, PRO31F, PRO32E, PRO32F, PRO33E, PRO33F, PRO34E, PRO34F, PRO5E, PRO5F, PRO75E, PRO75F, PRO7E, PRO7F, PRO8E, PRO8F, SER111E, SER111F, SER114E, SER114F, SER48E, SER48F, SER69E, SER69F, THR30E, THR30F, THR42E, THR42F, THR87E, THR87F, THR9E, THR9F, TRP129E, TRP129F, TYR85E, TYR85F, TYR88E, TYR88F, VAL101E, VAL101F, VAL105E, VAL105F, VAL134E, VAL134F, VAL137E, VAL137F, VAL51E, VAL51F, VAL86E, VAL86F