Protein-Ligand Contacts

Entry: 2xiq \| 3D view	ISOMERASE
Protein-Ligand Environment
Protein Residues					Ligand				Bonds
Chain	SStr-Elm	Name	Number	Atom	Chain	Name	Number	Atom	Distance/Å	Possible Bond Type
A	No-SSE	TYR	96	CB	A	MLC	5001	N6	3.86	H.Bond
A	No-SSE	TYR	96	CD2	A	MLC	5001	C5	3.81	van der Waals
A	No-SSE	TYR	96	CD2	A	MLC	5001	N7	3.37	H.Bond
A	No-SSE	TYR	96	CE2	A	MLC	5001	C8	3.64	van der Waals
A	No-SSE	TYR	96	CE2	A	MLC	5001	N7	3.42	H.Bond
A	No-SSE	TYR	96	CE2	A	MLC	5001	O12	3.53	van der Waals
A	No-SSE	TYR	96	CZ	A	MLC	5001	O12	3.48	van der Waals
A	No-SSE	TYR	96	OH	A	MLC	5001	P1	3.69
A	No-SSE	TYR	96	OH	A	MLC	5001	O11	3.68	H.Bond
A	No-SSE	TYR	96	OH	A	MLC	5001	O12	2.66	H.Bond
A	98-102 H	THR	98	OG1	A	MLC	5001	N1	3.52	H.Bond
A	98-102 H	THR	98	OG1	A	MLC	5001	C6	3.74	van der Waals
A	98-102 H	THR	98	OG1	A	MLC	5001	N6	3.02	H.Bond
A	98-102 H	MET	99	N	A	MLC	5001	N6	3.46	H.Bond
A	98-102 H	MET	99	CA	A	MLC	5001	N6	3.82	H.Bond
A	98-102 H	MET	99	C	A	MLC	5001	N6	3.87	H.Bond
A	98-102 H	MET	99	O	A	MLC	5001	N6	3.14	H.Bond
A	98-102 H	PHE	102	CD2	A	MLC	5001	N1	3.73	H.Bond
A	No-SSE	ARG	103	CB	A	MLC	5001	N7	3.93	H.Bond
A	No-SSE	ARG	103	CD	A	MLC	5001	C8	3.38	van der Waals
A	No-SSE	ARG	103	CD	A	MLC	5001	N9	3.69	H.Bond
A	No-SSE	ARG	103	CD	A	MLC	5001	N7	3.65	H.Bond
A	No-SSE	ARG	103	CD	A	MLC	5001	O4'	3.74	van der Waals
A	No-SSE	ARG	103	NE	A	MLC	5001	O4'	3.74	H.Bond
A	No-SSE	ARG	103	CZ	A	MLC	5001	O5'	3.93	van der Waals
A	106-111 S 2	THR	106	CB	A	MLC	5001	O22	3.3	van der Waals
A	106-111 S 2	THR	106	OG1	A	MLC	5001	O6	3.65	H.Bond
A	106-111 S 2	THR	106	OG1	A	MLC	5001	P2	3.69
A	106-111 S 2	THR	106	OG1	A	MLC	5001	O22	2.61	H.Bond
A	106-111 S 2	THR	106	CG2	A	MLC	5001	O22	3.85	van der Waals
A	106-111 S 2	ARG	108	CD	A	MLC	5001	OP2	3.98	van der Waals
A	106-111 S 2	ARG	108	CD	A	MLC	5001	CP5	3.69	van der Waals
A	106-111 S 2	ARG	108	CD	A	MLC	5001	OP1	3.35	van der Waals
A	106-111 S 2	ARG	108	NE	A	MLC	5001	O22	3.94	H.Bond
A	106-111 S 2	ARG	108	NE	A	MLC	5001	OP2	3.1	H.Bond
A	106-111 S 2	ARG	108	NE	A	MLC	5001	CP5	3.9	H.Bond
A	106-111 S 2	ARG	108	CZ	A	MLC	5001	O22	3.81	van der Waals
A	106-111 S 2	ARG	108	CZ	A	MLC	5001	OP2	3.44	van der Waals
A	106-111 S 2	ARG	108	NH2	A	MLC	5001	P2	3.66
A	106-111 S 2	ARG	108	NH2	A	MLC	5001	O21	3.42	H.Bond
A	106-111 S 2	ARG	108	NH2	A	MLC	5001	O22	2.82	H.Bond
A	106-111 S 2	ARG	108	NH2	A	MLC	5001	OP2	3.35	H.Bond
A	106-111 S 2	TYR	110	CG	A	MLC	5001	S	3.69	van der Waals
A	106-111 S 2	TYR	110	CD1	A	MLC	5001	S	3.66	van der Waals
A	106-111 S 2	TYR	110	CD2	A	MLC	5001	S	3.69	van der Waals
A	106-111 S 2	TYR	110	CE1	A	MLC	5001	S	3.69	van der Waals
A	106-111 S 2	TYR	110	CE2	A	MLC	5001	S	3.72	van der Waals
A	106-111 S 2	TYR	110	CE2	A	MLC	5001	CM2	3.48	van der Waals
A	106-111 S 2	TYR	110	CE2	A	MLC	5001	OM4	3.56	van der Waals
A	106-111 S 2	TYR	110	CZ	A	MLC	5001	S	3.71	van der Waals
A	106-111 S 2	TYR	110	CZ	A	MLC	5001	CM2	3.85	van der Waals
A	106-111 S 2	TYR	110	CZ	A	MLC	5001	OM4	3.41	van der Waals
A	106-111 S 2	TYR	110	OH	A	MLC	5001	CM3	3.77	van der Waals
A	106-111 S 2	TYR	110	OH	A	MLC	5001	OM4	2.68	H.Bond
A	133-136 S 2	SER	135	OG	A	MLC	5001	OP1	3.61	H.Bond
A	133-136 S 2	SER	135	OG	A	MLC	5001	CP2	3.62	van der Waals
A	184-186 S 2	SER	185	CB	A	MLC	5001	CP5	3.94	van der Waals
A	184-186 S 2	SER	185	CB	A	MLC	5001	CP3	3.8	van der Waals
A	184-186 S 2	SER	185	CB	A	MLC	5001	OP1	3.75	van der Waals
A	184-186 S 2	SER	185	OG	A	MLC	5001	CP5	3.79	van der Waals
A	184-186 S 2	SER	185	OG	A	MLC	5001	CP4	3.36	van der Waals
A	184-186 S 2	SER	185	OG	A	MLC	5001	CP3	3.01	van der Waals
A	184-186 S 2	SER	185	OG	A	MLC	5001	OP1	3.36	H.Bond
A	184-186 S 2	SER	185	OG	A	MLC	5001	NP1	3.47	H.Bond
A	No-SSE	THR	187	OG1	A	MLC	5001	CP2	3.44	van der Waals
A	No-SSE	THR	187	OG1	A	MLC	5001	CP1	3.23	van der Waals
A	No-SSE	THR	187	OG1	A	MLC	5001	S	3.47
A	No-SSE	THR	187	OG1	A	MLC	5001	OM2	3.95	H.Bond
A	No-SSE	THR	187	CG2	A	MLC	5001	OM2	3.31	van der Waals
A	No-SSE	THR	187	CG2	A	MLC	5001	OM4	3.89	van der Waals
A	215-217 S 2	THR	216	CB	A	MLC	5001	OP3	3.84	van der Waals
A	215-217 S 2	THR	216	OG1	A	MLC	5001	CP7	3.18	van der Waals
A	215-217 S 2	THR	216	OG1	A	MLC	5001	OP3	2.84	H.Bond
A	215-217 S 2	THR	216	OG1	A	MLC	5001	CP6	3.17	van der Waals
A	215-217 S 2	THR	216	OG1	A	MLC	5001	OP2	3.81	H.Bond
A	215-217 S 2	THR	216	OG1	A	MLC	5001	NP2	3.51	H.Bond
A	215-217 S 2	THR	216	CG2	A	MLC	5001	OP3	3.73	van der Waals
A	No-SSE	GLN	218	NE2	A	MLC	5001	CP1	3.79	H.Bond
A	No-SSE	GLN	218	NE2	A	MLC	5001	OM2	3.14	H.Bond
A	No-SSE	ARG	228	CD	A	MLC	5001	OM3	3.54	van der Waals
A	No-SSE	ARG	228	NE	A	MLC	5001	CM3	3.59	H.Bond
A	No-SSE	ARG	228	NE	A	MLC	5001	OM3	2.63	H.Bond
A	No-SSE	ARG	228	NE	A	MLC	5001	OM4	3.59	H.Bond
A	No-SSE	ARG	228	CZ	A	MLC	5001	OM3	3.47	van der Waals
A	No-SSE	ARG	228	CZ	A	MLC	5001	OM4	3.58	van der Waals
A	No-SSE	ARG	228	NH2	A	MLC	5001	CM3	3.55	H.Bond
A	No-SSE	ARG	228	NH2	A	MLC	5001	OM3	3.46	H.Bond
A	No-SSE	ARG	228	NH2	A	MLC	5001	OM4	2.69	H.Bond
A	No-SSE	LYS	255	NZ	A	MLC	5001	P3	3.74
A	No-SSE	LYS	255	NZ	A	MLC	5001	O32	3.69	H.Bond
A	No-SSE	LYS	255	NZ	A	MLC	5001	O33	2.59	H.Bond
A	256-257 S 2	ASN	257	CB	A	MLC	5001	OP3	3.91	van der Waals
A	256-257 S 2	ASN	257	CG	A	MLC	5001	OP3	3.79	van der Waals
A	256-257 S 2	ASN	257	ND2	A	MLC	5001	CP7	3.6	H.Bond
A	256-257 S 2	ASN	257	ND2	A	MLC	5001	OP3	3.7	H.Bond
A	263-270 H	HIS	265	CD2	A	MLC	5001	OM2	3.98	van der Waals
A	263-270 H	HIS	265	CD2	A	MLC	5001	OM3	2.9	van der Waals
A	263-270 H	HIS	265	CE1	A	MLC	5001	OM2	3.61	van der Waals
A	263-270 H	HIS	265	NE2	A	MLC	5001	CM1	3.68	H.Bond
A	263-270 H	HIS	265	NE2	A	MLC	5001	CM3	3.92	H.Bond
A	263-270 H	HIS	265	NE2	A	MLC	5001	OM2	2.88	H.Bond
A	263-270 H	HIS	265	NE2	A	MLC	5001	OM3	2.85	H.Bond
A	No-SSE	ARG	304	CZ	A	MLC	5001	O32	3.87	van der Waals
A	No-SSE	ARG	304	NH1	A	MLC	5001	O32	3.77	H.Bond
A	No-SSE	ARG	304	NH2	A	MLC	5001	P3	3.78
A	No-SSE	ARG	304	NH2	A	MLC	5001	O31	3.49	H.Bond
A	No-SSE	ARG	304	NH2	A	MLC	5001	O32	3.06	H.Bond
A	305-311 S 2	SER	306	CB	A	MLC	5001	CP9	3.91	van der Waals
A	305-311 S 2	SER	306	CB	A	MLC	5001	OP3	3.21	van der Waals
A	305-311 S 2	SER	306	OG	A	MLC	5001	OP3	3.01	H.Bond
A	305-311 S 2	PHE	308	CE2	A	MLC	5001	CP1	3.51	van der Waals
A	305-311 S 2	PHE	308	CE2	A	MLC	5001	CM1	3.59	van der Waals
A	305-311 S 2	PHE	308	CE2	A	MLC	5001	OM2	3.51	van der Waals
A	305-311 S 2	PHE	308	CZ	A	MLC	5001	CP1	3.79	van der Waals
A	305-311 S 2	PHE	308	CZ	A	MLC	5001	CM1	3.89	van der Waals
A	No-SSE	ARG	348	O	A	MLC	5001	CP8	3.93	van der Waals
A	No-SSE	ARG	348	CB	A	MLC	5001	CP9	3.83	van der Waals
A	No-SSE	ARG	348	CZ	A	MLC	5001	CP9	3.88	van der Waals
A	No-SSE	ARG	348	NH1	A	MLC	5001	CP9	3.39	H.Bond
A	349-353 S 2	ALA	349	N	A	MLC	5001	CP8	3.84	H.Bond
A	349-353 S 2	ALA	349	CA	A	MLC	5001	CP8	3.91	van der Waals
A	349-353 S 2	ALA	349	C	A	MLC	5001	CP8	3.37	van der Waals
A	349-353 S 2	ALA	349	O	A	MLC	5001	CP8	3.58	van der Waals
A	349-353 S 2	HIS	350	N	A	MLC	5001	CP8	3.45	H.Bond
A	349-353 S 2	HIS	350	CB	A	MLC	5001	NP2	3.62	H.Bond
A	349-353 S 2	HIS	350	CB	A	MLC	5001	CP5	3.58	van der Waals
A	349-353 S 2	HIS	350	CB	A	MLC	5001	CP4	3.56	van der Waals
A	349-353 S 2	HIS	350	CG	A	MLC	5001	CP5	3.73	van der Waals
A	349-353 S 2	HIS	350	CG	A	MLC	5001	CP4	3.53	van der Waals
A	349-353 S 2	HIS	350	CG	A	MLC	5001	CP3	3.62	van der Waals
A	349-353 S 2	HIS	350	CG	A	MLC	5001	OP1	3.59	van der Waals
A	349-353 S 2	HIS	350	ND1	A	MLC	5001	CP5	3.94	H.Bond
A	349-353 S 2	HIS	350	ND1	A	MLC	5001	CP3	3.97	H.Bond
A	349-353 S 2	HIS	350	ND1	A	MLC	5001	OP1	3.48	H.Bond
A	349-353 S 2	HIS	350	CD2	A	MLC	5001	CP4	3.74	van der Waals
A	349-353 S 2	HIS	350	CD2	A	MLC	5001	CP3	3.4	van der Waals
A	349-353 S 2	HIS	350	CD2	A	MLC	5001	OP1	3.45	van der Waals
A	349-353 S 2	HIS	350	CD2	A	MLC	5001	NP1	3.6	H.Bond
A	349-353 S 2	HIS	350	CE1	A	MLC	5001	CP3	3.99	van der Waals
A	349-353 S 2	HIS	350	CE1	A	MLC	5001	OP1	3.3	van der Waals
A	349-353 S 2	HIS	350	NE2	A	MLC	5001	CP3	3.66	H.Bond
A	349-353 S 2	HIS	350	NE2	A	MLC	5001	OP1	3.27	H.Bond
A	349-353 S 2	HIS	350	NE2	A	MLC	5001	NP1	3.89	H.Bond
A	349-353 S 2	HIS	350	NE2	A	MLC	5001	CP2	3.96	H.Bond
A	349-353 S 2	GLN	352	OE1	A	MLC	5001	S	3.54
A	349-353 S 2	GLN	352	OE1	A	MLC	5001	CM1	3.64	van der Waals
A	349-353 S 2	GLN	352	OE1	A	MLC	5001	CM2	3.89	van der Waals
A	No-SSE	GLN	383	CB	A	MLC	5001	O12	3.59	van der Waals
A	No-SSE	GLN	383	CB	A	MLC	5001	CPB	3.93	van der Waals
A	No-SSE	GLN	383	CG	A	MLC	5001	O12	3.36	van der Waals
A	384-386 S 2	SER	384	CB	A	MLC	5001	O22	3.95	van der Waals
A	384-386 S 2	SER	384	CB	A	MLC	5001	OP2	3.97	van der Waals
A	384-386 S 2	SER	384	OG	A	MLC	5001	OP2	3.87	H.Bond
A		HOH	2053	O	A	MLC	5001	C8	3.92	van der Waals
A		HOH	2053	O	A	MLC	5001	C5	3.55	van der Waals
A		HOH	2053	O	A	MLC	5001	N7	2.81	H.Bond
A		HOH	2053	O	A	MLC	5001	C6	3.77	van der Waals
A		HOH	2053	O	A	MLC	5001	N6	3.08	H.Bond
A		HOH	2059	O	A	MLC	5001	C5'	3.96	van der Waals
A		HOH	2075	O	A	MLC	5001	CP3	3.74	van der Waals
A		HOH	2075	O	A	MLC	5001	OP1	2.77	H.Bond
A		HOH	2075	O	A	MLC	5001	NP1	3.98	H.Bond
A		HOH	2075	O	A	MLC	5001	CP2	3.35	van der Waals
A		HOH	2118	O	A	MLC	5001	NP1	3.91	H.Bond
A		HOH	2118	O	A	MLC	5001	CP2	3.6	van der Waals
A		HOH	2119	O	A	MLC	5001	CP4	3.98	van der Waals
A		HOH	2119	O	A	MLC	5001	NP1	3.97	H.Bond
A		HOH	2135	O	A	MLC	5001	CP7	3.6	van der Waals
A		HOH	2135	O	A	MLC	5001	CP6	3.05	van der Waals
A		HOH	2135	O	A	MLC	5001	OP2	2.7	H.Bond
A		HOH	2135	O	A	MLC	5001	NP2	3.99	H.Bond
A		HOH	2159	O	A	MLC	5001	CP4	3.51	van der Waals
A		HOH	2159	O	A	MLC	5001	CP3	3.64	van der Waals
A		HOH	2159	O	A	MLC	5001	NP1	2.84	H.Bond
A		HOH	2159	O	A	MLC	5001	CP2	3.8	van der Waals
A		HOH	2159	O	A	MLC	5001	CP1	3.7	van der Waals
A		HOH	2189	O	A	MLC	5001	CP8	3.7	van der Waals
A		HOH	2189	O	A	MLC	5001	OP3	3.05	H.Bond
A		HOH	2189	O	A	MLC	5001	NP2	3.16	H.Bond
A		HOH	2189	O	A	MLC	5001	CP4	3.8	van der Waals
A		HOH	2215	O	A	MLC	5001	CP2	3.4	van der Waals
A		HOH	2215	O	A	MLC	5001	CP1	3.55	van der Waals
A		HOH	2215	O	A	MLC	5001	S	3.41
A		HOH	2479	O	A	MLC	5001	P2	3.75
A		HOH	2479	O	A	MLC	5001	O21	2.7	H.Bond
A		HOH	2479	O	A	MLC	5001	O7	3.72	H.Bond
A		HOH	2480	O	A	MLC	5001	C5'	3.67	van der Waals
A		HOH	2480	O	A	MLC	5001	P2	3.73
A		HOH	2480	O	A	MLC	5001	O21	2.59	H.Bond
A		HOH	2480	O	A	MLC	5001	O22	3.96	H.Bond
A		HOH	2481	O	A	MLC	5001	O32	2.66	H.Bond
A		HOH	2482	O	A	MLC	5001	C2'	3.72	van der Waals
A		HOH	2482	O	A	MLC	5001	O2'	3.65	H.Bond
A		HOH	2482	O	A	MLC	5001	C3'	3.84	van der Waals
A		HOH	2482	O	A	MLC	5001	P1	3.68
A		HOH	2482	O	A	MLC	5001	O11	2.53	H.Bond
A		HOH	2482	O	A	MLC	5001	O12	3.8	H.Bond
A		HOH	2483	O	A	MLC	5001	O2'	2.83	H.Bond
A		HOH	2484	O	A	MLC	5001	O11	2.85	H.Bond
A		HOH	2484	O	A	MLC	5001	O21	3.58	H.Bond
A		HOH	2484	O	A	MLC	5001	O7	3.63	H.Bond
A		HOH	2484	O	A	MLC	5001	O32	3.92	H.Bond
A		HOH	2485	O	A	MLC	5001	C8	3.99	van der Waals
A		HOH	2485	O	A	MLC	5001	O5'	3.83	H.Bond
A		HOH	2485	O	A	MLC	5001	P1	3.56
A		HOH	2485	O	A	MLC	5001	O12	2.82	H.Bond
A		HOH	2485	O	A	MLC	5001	O6	3.46	H.Bond
A		HOH	2486	O	A	MLC	5001	O2'	3.66	H.Bond
A		HOH	2486	O	A	MLC	5001	P3	3.87
A		HOH	2486	O	A	MLC	5001	O31	2.68	H.Bond
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